1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol

C16H22O2 — CID 59703119

IUPAC1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
SMILESC=CCCC(O)c1cccc(C(O)CCC=C)c1
InChIInChI=1S/C16H22O2/c1-3-5-10-15(17)13-8-7-9-14(12-13)16(18)11-6-4-2/h3-4,7-9,12,15-18H,1-2,5-6,10-11H2
InChIKeyWZGJRELSQXZERE-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.69
Rot. Bonds8

About 1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol

1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol (PubChem CID 59703119) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol.

Molecular Properties

Compound Name1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
PubChem CID59703119
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
SMILESC=CCCC(O)c1cccc(C(O)CCC=C)c1
InChIInChI=1S/C16H22O2/c1-3-5-10-15(17)13-8-7-9-14(12-13)16(18)11-6-4-2/h3-4,7-9,12,15-18H,1-2,5-6,10-11H2
InChIKeyWZGJRELSQXZERE-UHFFFAOYSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)pent-4-en-1-ol
CID 14665893
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584
1-[3-(difluoromethyl)phenyl]but-3-en-1-ol
CID 115527625
1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol
CID 107012185
1-(3,4-dimethylphenyl)hex-5-en-1-ol
CID 115804443
1-(4-ethoxyphenyl)pent-4-en-1-ol
CID 115804789
(3S,4S)-3-phenylocta-1,7-dien-4-ol
CID 101442843
(1S)-1-(3-methylphenyl)but-3-en-1-ol
CID 15936639
(1R)-1-(3-sulfanylphenyl)but-3-en-1-ol
CID 130662620
3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624727
3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 55098950
1-(2-chloro-3-methylphenyl)pent-4-en-1-ol
CID 115804889

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol?
The IUPAC name of 1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol (CID 59703119) is 1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol.
What is the SMILES notation for 1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol?
The canonical SMILES for 1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol is C=CCCC(O)c1cccc(C(O)CCC=C)c1.
What is the InChIKey of 1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol?
The InChIKey is WZGJRELSQXZERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-5-10-15(17)13-8-7-9-14(12-13)16(18)11-6-4-2/h3-4,7-9,12,15-18H,1-2,5-6,10-11H2.
What are the key properties of 1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol?
1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol is sourced from PubChem (CID 59703119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).