1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol

C20H30O2 — CID 70500142

IUPAC1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol
SMILESCCCCC(O)C=Cc1ccccc1C=CC(O)CCCC
InChIInChI=1S/C20H30O2/c1-3-5-11-19(21)15-13-17-9-7-8-10-18(17)14-16-20(22)12-6-4-2/h7-10,13-16,19-22H,3-6,11-12H2,1-2H3
InChIKeyDOKUHFDTFKKJIW-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.82
Rot. Bonds10

About 1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol

1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol (PubChem CID 70500142) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol.

Molecular Properties

Compound Name1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol
PubChem CID70500142
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol
SMILESCCCCC(O)C=Cc1ccccc1C=CC(O)CCCC
InChIInChI=1S/C20H30O2/c1-3-5-11-19(21)15-13-17-9-7-8-10-18(17)14-16-20(22)12-6-4-2/h7-10,13-16,19-22H,3-6,11-12H2,1-2H3
InChIKeyDOKUHFDTFKKJIW-UHFFFAOYSA-N
XLogP4.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol?
The IUPAC name of 1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol (CID 70500142) is 1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol.
What is the SMILES notation for 1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol?
The canonical SMILES for 1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol is CCCCC(O)C=Cc1ccccc1C=CC(O)CCCC.
What is the InChIKey of 1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol?
The InChIKey is DOKUHFDTFKKJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-3-5-11-19(21)15-13-17-9-7-8-10-18(17)14-16-20(22)12-6-4-2/h7-10,13-16,19-22H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol?
1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol has a molecular weight of 302.46 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyhept-1-enyl)phenyl]hept-1-en-3-ol is sourced from PubChem (CID 70500142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).