4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol

C22H36FO2P — CID 146222469

IUPAC4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol
SMILESCCCC1C=C(OCC2CCC(C3CCCCC3)CC2)C(F)=C(P)C1O
InChIInChI=1S/C22H36FO2P/c1-2-6-18-13-19(20(23)22(26)21(18)24)25-14-15-9-11-17(12-10-15)16-7-4-3-5-8-16/h13,15-18,21,24H,2-12,14,26H2,1H3
InChIKeyXKVPALHDEYEZJD-UHFFFAOYSA-N
MW382.50 g/mol
LogP6.12
Rot. Bonds6

About 4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol

4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol (PubChem CID 146222469) has the molecular formula C22H36FO2P and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol
PubChem CID146222469
Molecular FormulaC22H36FO2P
Molecular Weight382.50 g/mol
Exact Mass382.24
IUPAC Name4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol
SMILESCCCC1C=C(OCC2CCC(C3CCCCC3)CC2)C(F)=C(P)C1O
InChIInChI=1S/C22H36FO2P/c1-2-6-18-13-19(20(23)22(26)21(18)24)25-14-15-9-11-17(12-10-15)16-7-4-3-5-8-16/h13,15-18,21,24H,2-12,14,26H2,1H3
InChIKeyXKVPALHDEYEZJD-UHFFFAOYSA-N
XLogP6.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol (CID 146222469) is 4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol is CCCC1C=C(OCC2CCC(C3CCCCC3)CC2)C(F)=C(P)C1O.
What is the InChIKey of 4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol?
The InChIKey is XKVPALHDEYEZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36FO2P/c1-2-6-18-13-19(20(23)22(26)21(18)24)25-14-15-9-11-17(12-10-15)16-7-4-3-5-8-16/h13,15-18,21,24H,2-12,14,26H2,1H3.
What are the key properties of 4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol?
4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol has a molecular weight of 382.50 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylcyclohexyl)methoxy]-3-fluoro-2-phosphanyl-6-propylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 146222469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).