(7,7-dimethylbenzo[c]fluoren-5-yl) acetate

C21H18O2 — CID 67171677

IUPAC(7,7-dimethylbenzo[c]fluoren-5-yl) acetate
SMILESCC(=O)Oc1cc2c(c3ccccc13)-c1ccccc1C2(C)C
InChIInChI=1S/C21H18O2/c1-13(22)23-19-12-18-20(15-9-5-4-8-14(15)19)16-10-6-7-11-17(16)21(18,2)3/h4-12H,1-3H3
InChIKeyATVAEMZVRGBGQV-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.07
Rot. Bonds1

About (7,7-dimethylbenzo[c]fluoren-5-yl) acetate

(7,7-dimethylbenzo[c]fluoren-5-yl) acetate (PubChem CID 67171677) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (7,7-dimethylbenzo[c]fluoren-5-yl) acetate.

Molecular Properties

Compound Name(7,7-dimethylbenzo[c]fluoren-5-yl) acetate
PubChem CID67171677
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(7,7-dimethylbenzo[c]fluoren-5-yl) acetate
SMILESCC(=O)Oc1cc2c(c3ccccc13)-c1ccccc1C2(C)C
InChIInChI=1S/C21H18O2/c1-13(22)23-19-12-18-20(15-9-5-4-8-14(15)19)16-10-6-7-11-17(16)21(18,2)3/h4-12H,1-3H3
InChIKeyATVAEMZVRGBGQV-UHFFFAOYSA-N
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-yl) acetate
CID 67971527
(12,12,15-trimethyl-17-oxo-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaenyl) acetate
CID 118083699
5-iodo-7,7-dimethylbenzo[c]fluorene
CID 144938890
[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
CID 88549557
19-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724618
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140892174
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 153447199

Frequently Asked Questions

What is the IUPAC name of (7,7-dimethylbenzo[c]fluoren-5-yl) acetate?
The IUPAC name of (7,7-dimethylbenzo[c]fluoren-5-yl) acetate (CID 67171677) is (7,7-dimethylbenzo[c]fluoren-5-yl) acetate.
What is the SMILES notation for (7,7-dimethylbenzo[c]fluoren-5-yl) acetate?
The canonical SMILES for (7,7-dimethylbenzo[c]fluoren-5-yl) acetate is CC(=O)Oc1cc2c(c3ccccc13)-c1ccccc1C2(C)C.
What is the InChIKey of (7,7-dimethylbenzo[c]fluoren-5-yl) acetate?
The InChIKey is ATVAEMZVRGBGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-13(22)23-19-12-18-20(15-9-5-4-8-14(15)19)16-10-6-7-11-17(16)21(18,2)3/h4-12H,1-3H3.
What are the key properties of (7,7-dimethylbenzo[c]fluoren-5-yl) acetate?
(7,7-dimethylbenzo[c]fluoren-5-yl) acetate has a molecular weight of 302.37 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethylbenzo[c]fluoren-5-yl) acetate is sourced from PubChem (CID 67171677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).