4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol

C27H22O — CID 150703659

IUPAC4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol
SMILESOc1ccc(Cc2ccc3c(c2Cc2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C27H22O/c28-23-13-10-20(11-14-23)16-22-12-15-25-24-9-5-4-8-21(24)18-27(25)26(22)17-19-6-2-1-3-7-19/h1-15,28H,16-18H2
InChIKeyJMKFQTKAUBTJEE-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.14
Rot. Bonds4

About 4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol

4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol (PubChem CID 150703659) has the molecular formula C27H22O and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol
PubChem CID150703659
Molecular FormulaC27H22O
Molecular Weight362.47 g/mol
Exact Mass362.17
IUPAC Name4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol
SMILESOc1ccc(Cc2ccc3c(c2Cc2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C27H22O/c28-23-13-10-20(11-14-23)16-22-12-15-25-24-9-5-4-8-21(24)18-27(25)26(22)17-19-6-2-1-3-7-19/h1-15,28H,16-18H2
InChIKeyJMKFQTKAUBTJEE-UHFFFAOYSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-benzyl-9H-fluoren-1-yl)methyl]phenol
CID 151052174
4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol
CID 151591558
2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
1,2-diethyl-9H-fluorene
CID 23440471
2-[1-(2-hydroxyphenyl)-9H-fluoren-2-yl]phenol;phenol
CID 22221785
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
CID 131886054
CID 131886054
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
3-benzyl-9H-fluorene
CID 57310019
(2-amino-9H-fluoren-1-yl)methanol
CID 67611145
1-butyl-2-decyl-9H-fluorene
CID 151429799
4-(9H-fluoren-1-yl)benzene-1,2,3-triol
CID 139434157

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol?
The IUPAC name of 4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol (CID 150703659) is 4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol?
The canonical SMILES for 4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol is Oc1ccc(Cc2ccc3c(c2Cc2ccccc2)Cc2ccccc2-3)cc1.
What is the InChIKey of 4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol?
The InChIKey is JMKFQTKAUBTJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O/c28-23-13-10-20(11-14-23)16-22-12-15-25-24-9-5-4-8-21(24)18-27(25)26(22)17-19-6-2-1-3-7-19/h1-15,28H,16-18H2.
What are the key properties of 4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol?
4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol has a molecular weight of 362.47 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol is sourced from PubChem (CID 150703659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).