4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol

C27H22O3 — CID 171415364

IUPAC4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol
SMILESCOc1ccc2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(C)cc1-2
InChIInChI=1S/C27H22O3/c1-17-3-14-25-24(15-17)23-13-12-22(30-2)16-26(23)27(25,18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h3-16,28-29H,1-2H3
InChIKeyUSZPQCPTEDKBKK-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.78
Rot. Bonds3

About 4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol

4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol (PubChem CID 171415364) has the molecular formula C27H22O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol
PubChem CID171415364
Molecular FormulaC27H22O3
Molecular Weight394.47 g/mol
Exact Mass394.16
IUPAC Name4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol
SMILESCOc1ccc2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(C)cc1-2
InChIInChI=1S/C27H22O3/c1-17-3-14-25-24(15-17)23-13-12-22(30-2)16-26(23)27(25,18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h3-16,28-29H,1-2H3
InChIKeyUSZPQCPTEDKBKK-UHFFFAOYSA-N
XLogP5.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 59982767
2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]
CID 170925493
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 158311989
6-[9-(6-hydroxynaphthalen-2-yl)-2,7-dimethylfluoren-9-yl]naphthalen-2-ol
CID 163275915
4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
CID 174433449
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
CID 171457364
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
[4-[3-methoxy-7-(4-methoxyphenyl)-10-methylbenzo[c]fluoren-7-yl]phenyl] acetate
CID 161150622
4-methoxyphenol;4-methylphenol
CID 158312507
2-(2-fluoro-4-methoxyphenyl)-4-methylphenol
CID 83130401

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol?
The IUPAC name of 4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol (CID 171415364) is 4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol.
What is the SMILES notation for 4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol?
The canonical SMILES for 4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol is COc1ccc2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(C)cc1-2.
What is the InChIKey of 4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol?
The InChIKey is USZPQCPTEDKBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O3/c1-17-3-14-25-24(15-17)23-13-12-22(30-2)16-26(23)27(25,18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h3-16,28-29H,1-2H3.
What are the key properties of 4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol?
4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol has a molecular weight of 394.47 g/mol, XLogP of 5.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol is sourced from PubChem (CID 171415364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).