(1,2-diphenylcyclohexyl) dihydrogen phosphite

C18H21O3P — CID 54360271

IUPAC(1,2-diphenylcyclohexyl) dihydrogen phosphite
SMILESOP(O)OC1(c2ccccc2)CCCCC1c1ccccc1
InChIInChI=1S/C18H21O3P/c19-22(20)21-18(16-11-5-2-6-12-16)14-8-7-13-17(18)15-9-3-1-4-10-15/h1-6,9-12,17,19-20H,7-8,13-14H2
InChIKeyUMAJGVCPBJMMPW-UHFFFAOYSA-N
MW316.34 g/mol
LogP4.47
Rot. Bonds4

About (1,2-diphenylcyclohexyl) dihydrogen phosphite

(1,2-diphenylcyclohexyl) dihydrogen phosphite (PubChem CID 54360271) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is (1,2-diphenylcyclohexyl) dihydrogen phosphite.

Molecular Properties

Compound Name(1,2-diphenylcyclohexyl) dihydrogen phosphite
PubChem CID54360271
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name(1,2-diphenylcyclohexyl) dihydrogen phosphite
SMILESOP(O)OC1(c2ccccc2)CCCCC1c1ccccc1
InChIInChI=1S/C18H21O3P/c19-22(20)21-18(16-11-5-2-6-12-16)14-8-7-13-17(18)15-9-3-1-4-10-15/h1-6,9-12,17,19-20H,7-8,13-14H2
InChIKeyUMAJGVCPBJMMPW-UHFFFAOYSA-N
XLogP4.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,2-diphenylcyclohexyl)silane
CID 175556330
(1,2-diphenylcyclooctyl)phosphane
CID 22238653
1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
(1-anilino-2-phenylcyclohexyl)methanol
CID 105403088
trans-(1R,2S)-1-amino-2-phenylcycloheptane-1-carboxylic acid
CID 34176616
1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine
CID 23497852
1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
CID 79566677
4-(1-amino-2-phenylcyclohexyl)aniline
CID 162690255
(5S,6S)-6-phenyl-1-azaspiro[4.5]decane
CID 97356341
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
(1-methoxy-2-phenylcyclohexyl)methanamine
CID 105403899

Frequently Asked Questions

What is the IUPAC name of (1,2-diphenylcyclohexyl) dihydrogen phosphite?
The IUPAC name of (1,2-diphenylcyclohexyl) dihydrogen phosphite (CID 54360271) is (1,2-diphenylcyclohexyl) dihydrogen phosphite.
What is the SMILES notation for (1,2-diphenylcyclohexyl) dihydrogen phosphite?
The canonical SMILES for (1,2-diphenylcyclohexyl) dihydrogen phosphite is OP(O)OC1(c2ccccc2)CCCCC1c1ccccc1.
What is the InChIKey of (1,2-diphenylcyclohexyl) dihydrogen phosphite?
The InChIKey is UMAJGVCPBJMMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O3P/c19-22(20)21-18(16-11-5-2-6-12-16)14-8-7-13-17(18)15-9-3-1-4-10-15/h1-6,9-12,17,19-20H,7-8,13-14H2.
What are the key properties of (1,2-diphenylcyclohexyl) dihydrogen phosphite?
(1,2-diphenylcyclohexyl) dihydrogen phosphite has a molecular weight of 316.34 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diphenylcyclohexyl) dihydrogen phosphite is sourced from PubChem (CID 54360271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).