(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol

C16H24O3 — CID 10084181

IUPAC(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
SMILESCC[C@H](C)/C=C/[C@@H](O)COCc1ccc(OC)cc1
InChIInChI=1S/C16H24O3/c1-4-13(2)5-8-15(17)12-19-11-14-6-9-16(18-3)10-7-14/h5-10,13,15,17H,4,11-12H2,1-3H3/b8-5+/t13-,15+/m0/s1
InChIKeyAAGHWGTWHRSJBH-FFAUQURTSA-N
MW264.37 g/mol
LogP3.17
Rot. Bonds8

About (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol

(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol (PubChem CID 10084181) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol.

Molecular Properties

Compound Name(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
PubChem CID10084181
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
SMILESCC[C@H](C)/C=C/[C@@H](O)COCc1ccc(OC)cc1
InChIInChI=1S/C16H24O3/c1-4-13(2)5-8-15(17)12-19-11-14-6-9-16(18-3)10-7-14/h5-10,13,15,17H,4,11-12H2,1-3H3/b8-5+/t13-,15+/m0/s1
InChIKeyAAGHWGTWHRSJBH-FFAUQURTSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
(E,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-one
CID 10244454
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
CID 101467389
(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
CID 101074117
1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
CID 91404007
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341
(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
CID 46896141
(4S,5R)-6-[(4-methoxyphenyl)methoxy]-4-methylhex-2-yne-1,5-diol
CID 11747474
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992

Frequently Asked Questions

What is the IUPAC name of (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol?
The IUPAC name of (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol (CID 10084181) is (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol.
What is the SMILES notation for (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol?
The canonical SMILES for (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol is CC[C@H](C)/C=C/[C@@H](O)COCc1ccc(OC)cc1.
What is the InChIKey of (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol?
The InChIKey is AAGHWGTWHRSJBH-FFAUQURTSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-13(2)5-8-15(17)12-19-11-14-6-9-16(18-3)10-7-14/h5-10,13,15,17H,4,11-12H2,1-3H3/b8-5+/t13-,15+/m0/s1.
What are the key properties of (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol?
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol has a molecular weight of 264.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol is sourced from PubChem (CID 10084181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).