4-(10-phenyldecyl)benzene-1,2-diol

C22H30O2 — CID 14057488

IUPAC4-(10-phenyldecyl)benzene-1,2-diol
SMILESOc1ccc(CCCCCCCCCCc2ccccc2)cc1O
InChIInChI=1S/C22H30O2/c23-21-17-16-20(18-22(21)24)15-9-6-4-2-1-3-5-8-12-19-13-10-7-11-14-19/h7,10-11,13-14,16-18,23-24H,1-6,8-9,12,15H2
InChIKeyCYQZXLDTNYXYIB-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.00
Rot. Bonds11

About 4-(10-phenyldecyl)benzene-1,2-diol

4-(10-phenyldecyl)benzene-1,2-diol (PubChem CID 14057488) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-(10-phenyldecyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(10-phenyldecyl)benzene-1,2-diol
PubChem CID14057488
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name4-(10-phenyldecyl)benzene-1,2-diol
SMILESOc1ccc(CCCCCCCCCCc2ccccc2)cc1O
InChIInChI=1S/C22H30O2/c23-21-17-16-20(18-22(21)24)15-9-6-4-2-1-3-5-8-12-19-13-10-7-11-14-19/h7,10-11,13-14,16-18,23-24H,1-6,8-9,12,15H2
InChIKeyCYQZXLDTNYXYIB-UHFFFAOYSA-N
XLogP6.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenylbutyl)benzene-1,2-diol
CID 15135539
2-[(3,4-dihydroxyphenyl)methyl]-8-phenyloctanoic acid
CID 137376047
4-butylbenzene-1,2-diol;phenol
CID 170169190
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
2-hydroxy-5-(4-phenylbutyl)benzaldehyde
CID 166610719
2-(12-phenyldodecyl)phenol
CID 70505621
5-(12-phenyldodecyl)benzene-1,3-diol
CID 44575635
4-phenylbutylbenzene
CID 141301927
4-[4-(3,4-dihydroxyphenyl)-4-phenylbutyl]benzene-1,2-diol
CID 57182944
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656
[3-(6-phenylhexyl)phenyl]methanol
CID 139920561

Frequently Asked Questions

What is the IUPAC name of 4-(10-phenyldecyl)benzene-1,2-diol?
The IUPAC name of 4-(10-phenyldecyl)benzene-1,2-diol (CID 14057488) is 4-(10-phenyldecyl)benzene-1,2-diol.
What is the SMILES notation for 4-(10-phenyldecyl)benzene-1,2-diol?
The canonical SMILES for 4-(10-phenyldecyl)benzene-1,2-diol is Oc1ccc(CCCCCCCCCCc2ccccc2)cc1O.
What is the InChIKey of 4-(10-phenyldecyl)benzene-1,2-diol?
The InChIKey is CYQZXLDTNYXYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c23-21-17-16-20(18-22(21)24)15-9-6-4-2-1-3-5-8-12-19-13-10-7-11-14-19/h7,10-11,13-14,16-18,23-24H,1-6,8-9,12,15H2.
What are the key properties of 4-(10-phenyldecyl)benzene-1,2-diol?
4-(10-phenyldecyl)benzene-1,2-diol has a molecular weight of 326.48 g/mol, XLogP of 6.00, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-phenyldecyl)benzene-1,2-diol is sourced from PubChem (CID 14057488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).