2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol

C30H35O2P — CID 102168017

IUPAC2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol
SMILESOc1cccc(O)c1-c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C30H35O2P/c31-27-15-9-16-28(32)30(27)23-20-18-22(19-21-23)26-14-7-8-17-29(26)33(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h7-9,14-21,24-25,31-32H,1-6,10-13H2
InChIKeyGXHFFVDGRQFHHF-UHFFFAOYSA-N
MW458.58 g/mol
LogP8.20
Rot. Bonds5

About 2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol

2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol (PubChem CID 102168017) has the molecular formula C30H35O2P and a molecular weight of 458.58 g/mol. Its IUPAC name is 2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol
PubChem CID102168017
Molecular FormulaC30H35O2P
Molecular Weight458.58 g/mol
Exact Mass458.24
IUPAC Name2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol
SMILESOc1cccc(O)c1-c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C30H35O2P/c31-27-15-9-16-28(32)30(27)23-20-18-22(19-21-23)26-14-7-8-17-29(26)33(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h7-9,14-21,24-25,31-32H,1-6,10-13H2
InChIKeyGXHFFVDGRQFHHF-UHFFFAOYSA-N
XLogP8.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol
CID 54254683
azane;dicyclohexyl-(2-phenylphenyl)phosphane
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2-(2-dicyclohexylphosphanylphenyl)phenol
CID 7015412
acetic acid;dicyclohexyl-(2-phenylphenyl)phosphane;palladium
CID 87149866
[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 164886971
2,3-bis(2-dicyclohexylphosphanylphenyl)aniline
CID 87444825
[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479117
[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479114
CID 69466165
CID 69466165
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
CID 127262691
di(cyclobutyl)-[2-di(cyclobutyl)phosphanylphenyl]phosphane
CID 90110127

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol?
The IUPAC name of 2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol (CID 102168017) is 2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol.
What is the SMILES notation for 2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol?
The canonical SMILES for 2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol is Oc1cccc(O)c1-c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol?
The InChIKey is GXHFFVDGRQFHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35O2P/c31-27-15-9-16-28(32)30(27)23-20-18-22(19-21-23)26-14-7-8-17-29(26)33(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h7-9,14-21,24-25,31-32H,1-6,10-13H2.
What are the key properties of 2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol?
2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol has a molecular weight of 458.58 g/mol, XLogP of 8.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol is sourced from PubChem (CID 102168017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).