(Z)-3-methoxy-4-phenylbut-3-en-1-ol

C11H14O2 — CID 134985756

IUPAC(Z)-3-methoxy-4-phenylbut-3-en-1-ol
SMILESCO/C(=C\c1ccccc1)CCO
InChIInChI=1S/C11H14O2/c1-13-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3/b11-9-
InChIKeyMHGQKWHHKOQWTH-LUAWRHEFSA-N
MW178.23 g/mol
LogP2.06
Rot. Bonds4

About (Z)-3-methoxy-4-phenylbut-3-en-1-ol

(Z)-3-methoxy-4-phenylbut-3-en-1-ol (PubChem CID 134985756) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (Z)-3-methoxy-4-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(Z)-3-methoxy-4-phenylbut-3-en-1-ol
PubChem CID134985756
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(Z)-3-methoxy-4-phenylbut-3-en-1-ol
SMILESCO/C(=C\c1ccccc1)CCO
InChIInChI=1S/C11H14O2/c1-13-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3/b11-9-
InChIKeyMHGQKWHHKOQWTH-LUAWRHEFSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-methoxy-2-phenylethenethiol
CID 12543362
(2E)-2-benzylidenebutane-1,4-diol
CID 14715251
methyl (4Z)-4-benzylidene-7-hydroxyheptanoate
CID 134916641
hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene
CID 175128455
3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
CID 175448034
(E)-1-(methoxyamino)-2-phenylethenol
CID 10012253
[(Z)-1-methoxy-2-phenylethenyl]-trimethylgermane
CID 134971042
methyl 2-benzylidene-3-oxopentanoate
CID 71420847
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
(Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine
CID 68849510
methyl (2Z)-2-benzylidene-4-methoxybutanoate
CID 122641210
[(Z)-2-ethoxynon-1-enyl]benzene
CID 134932446

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methoxy-4-phenylbut-3-en-1-ol?
The IUPAC name of (Z)-3-methoxy-4-phenylbut-3-en-1-ol (CID 134985756) is (Z)-3-methoxy-4-phenylbut-3-en-1-ol.
What is the SMILES notation for (Z)-3-methoxy-4-phenylbut-3-en-1-ol?
The canonical SMILES for (Z)-3-methoxy-4-phenylbut-3-en-1-ol is CO/C(=C\c1ccccc1)CCO.
What is the InChIKey of (Z)-3-methoxy-4-phenylbut-3-en-1-ol?
The InChIKey is MHGQKWHHKOQWTH-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H14O2/c1-13-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3/b11-9-.
What are the key properties of (Z)-3-methoxy-4-phenylbut-3-en-1-ol?
(Z)-3-methoxy-4-phenylbut-3-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxy-4-phenylbut-3-en-1-ol is sourced from PubChem (CID 134985756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).