4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol

C18H20O2 — CID 143987033

IUPAC4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol
SMILESC=CC(CCc1ccc(OC)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20O2/c1-3-15(16-8-10-17(19)11-9-16)7-4-14-5-12-18(20-2)13-6-14/h3,5-6,8-13,15,19H,1,4,7H2,2H3
InChIKeySOSITVULCYBSHU-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.30
Rot. Bonds6

About 4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol

4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol (PubChem CID 143987033) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol
PubChem CID143987033
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol
SMILESC=CC(CCc1ccc(OC)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20O2/c1-3-15(16-8-10-17(19)11-9-16)7-4-14-5-12-18(20-2)13-6-14/h3,5-6,8-13,15,19H,1,4,7H2,2H3
InChIKeySOSITVULCYBSHU-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol?
The IUPAC name of 4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol (CID 143987033) is 4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol?
The canonical SMILES for 4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol is C=CC(CCc1ccc(OC)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol?
The InChIKey is SOSITVULCYBSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-15(16-8-10-17(19)11-9-16)7-4-14-5-12-18(20-2)13-6-14/h3,5-6,8-13,15,19H,1,4,7H2,2H3.
What are the key properties of 4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol?
4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol has a molecular weight of 268.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol is sourced from PubChem (CID 143987033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).