[4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate

C34H28O4 — CID 161150622

IUPAC[4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate
SMILESCOc1ccc(C2(c3ccc(OC(C)=O)cc3)c3ccc(C)cc3-c3c2ccc2cc(OC)ccc32)cc1
InChIInChI=1S/C34H28O4/c1-21-5-17-31-30(19-21)33-29-16-15-28(37-4)20-23(29)6-18-32(33)34(31,24-7-11-26(36-3)12-8-24)25-9-13-27(14-10-25)38-22(2)35/h5-20H,1-4H3
InChIKeyGVCKVWFSLHJNOK-UHFFFAOYSA-N
MW500.59 g/mol
LogP7.45
Rot. Bonds5

About [4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate

[4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate (PubChem CID 161150622) has the molecular formula C34H28O4 and a molecular weight of 500.59 g/mol. Its IUPAC name is [4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate
PubChem CID161150622
Molecular FormulaC34H28O4
Molecular Weight500.59 g/mol
Exact Mass500.20
IUPAC Name[4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate
SMILESCOc1ccc(C2(c3ccc(OC(C)=O)cc3)c3ccc(C)cc3-c3c2ccc2cc(OC)ccc32)cc1
InChIInChI=1S/C34H28O4/c1-21-5-17-31-30(19-21)33-29-16-15-28(37-4)20-23(29)6-18-32(33)34(31,24-7-11-26(36-3)12-8-24)25-9-13-27(14-10-25)38-22(2)35/h5-20H,1-4H3
InChIKeyGVCKVWFSLHJNOK-UHFFFAOYSA-N
XLogP7.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol
CID 171415364
9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 59982767
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
[4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate
CID 91347944
methanol;1-(4-methoxyphenyl)-1-[4-[6-[11-(6-methylnaphthalen-2-yl)benzo[b]fluoren-11-yl]naphthalen-2-yl]oxyphenyl]ethanol;1-(4-methoxyphenyl)-1-[4-[6-[7-(6-methylnaphthalen-2-yl)benzo[c]fluoren-7-yl]naphthalen-2-yl]oxyphenyl]ethanol;1-(4-methoxyphenyl)-1-[4-[6-[9-(6-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]ethanol;1-(4-methoxyphenyl)-1-[4-[6-[12-(6-methylnaphthalen-2-yl)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxyphenyl]ethanol;1-(4-methoxyphenyl)-1-[4-[6-[12-(6-methylnaphthalen-2-yl)-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxyphenyl]ethanol
CID 158262446
(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate
CID 19871375
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] 3,5-diacetylbenzoate
CID 59331100
[6-[12-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl] 2-methylpropanoate
CID 140948291
[4-[2-[4-[4-[4-[9-[4-(4-methoxyphenyl)phenyl]fluoren-9-yl]phenyl]phenoxy]carbonyloxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] acetate
CID 89403263
(1-tert-butyl-6-methoxynaphthalen-2-yl) acetate
CID 172766111
methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
CID 89179982

Frequently Asked Questions

What is the IUPAC name of [4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate?
The IUPAC name of [4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate (CID 161150622) is [4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate.
What is the SMILES notation for [4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate?
The canonical SMILES for [4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate is COc1ccc(C2(c3ccc(OC(C)=O)cc3)c3ccc(C)cc3-c3c2ccc2cc(OC)ccc32)cc1.
What is the InChIKey of [4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate?
The InChIKey is GVCKVWFSLHJNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O4/c1-21-5-17-31-30(19-21)33-29-16-15-28(37-4)20-23(29)6-18-32(33)34(31,24-7-11-26(36-3)12-8-24)25-9-13-27(14-10-25)38-22(2)35/h5-20H,1-4H3.
What are the key properties of [4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate?
[4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate has a molecular weight of 500.59 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate is sourced from PubChem (CID 161150622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).