(E)-3-(4-methoxyphenyl)prop-2-en-1-ol

C10H12O2 — CID 5314180

IUPAC(E)-3-(4-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(/C=C/CO)cc1
InChIInChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+
InChIKeyNYICIIFSBJOBKE-NSCUHMNNSA-N
MW164.20 g/mol
LogP1.70
Rot. Bonds3

About (E)-3-(4-methoxyphenyl)prop-2-en-1-ol

(E)-3-(4-methoxyphenyl)prop-2-en-1-ol (PubChem CID 5314180) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)prop-2-en-1-ol
PubChem CID5314180
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(E)-3-(4-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(/C=C/CO)cc1
InChIInChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+
InChIKeyNYICIIFSBJOBKE-NSCUHMNNSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-methoxyphenyl)prop-2-en-1-ol (CID 5314180) is (E)-3-(4-methoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-methoxyphenyl)prop-2-en-1-ol is COc1ccc(/C=C/CO)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)prop-2-en-1-ol?
The InChIKey is NYICIIFSBJOBKE-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+.
What are the key properties of (E)-3-(4-methoxyphenyl)prop-2-en-1-ol?
(E)-3-(4-methoxyphenyl)prop-2-en-1-ol has a molecular weight of 164.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 5314180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).