1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol

C18H24O2 — CID 175269235

IUPAC1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol
SMILESCCCC1(C(O)C(C)O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C18H24O2/c1-3-11-18(17(20)14(2)19)12-9-16(10-13-18)15-7-5-4-6-8-15/h4-10,12,14,17,19-20H,3,11,13H2,1-2H3
InChIKeyQGIREKNXGLSOSG-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol

1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol (PubChem CID 175269235) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol
PubChem CID175269235
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol
SMILESCCCC1(C(O)C(C)O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C18H24O2/c1-3-11-18(17(20)14(2)19)12-9-16(10-13-18)15-7-5-4-6-8-15/h4-10,12,14,17,19-20H,3,11,13H2,1-2H3
InChIKeyQGIREKNXGLSOSG-UHFFFAOYSA-N
XLogP3.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol?
The IUPAC name of 1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol (CID 175269235) is 1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol.
What is the SMILES notation for 1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol?
The canonical SMILES for 1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol is CCCC1(C(O)C(C)O)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol?
The InChIKey is QGIREKNXGLSOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-11-18(17(20)14(2)19)12-9-16(10-13-18)15-7-5-4-6-8-15/h4-10,12,14,17,19-20H,3,11,13H2,1-2H3.
What are the key properties of 1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol?
1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol has a molecular weight of 272.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)propane-1,2-diol is sourced from PubChem (CID 175269235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).