(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol

C13H18O3 — CID 56926948

IUPAC(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
SMILESCOc1ccc(CO[C@@H](C)/C=C/CO)cc1
InChIInChI=1S/C13H18O3/c1-11(4-3-9-14)16-10-12-5-7-13(15-2)8-6-12/h3-8,11,14H,9-10H2,1-2H3/b4-3+/t11-/m0/s1
InChIKeyQJLTWJSOSLKYEK-UFFNRZRYSA-N
MW222.28 g/mol
LogP2.15
Rot. Bonds6

About (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol

(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol (PubChem CID 56926948) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol.

Molecular Properties

Compound Name(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
PubChem CID56926948
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
SMILESCOc1ccc(CO[C@@H](C)/C=C/CO)cc1
InChIInChI=1S/C13H18O3/c1-11(4-3-9-14)16-10-12-5-7-13(15-2)8-6-12/h3-8,11,14H,9-10H2,1-2H3/b4-3+/t11-/m0/s1
InChIKeyQJLTWJSOSLKYEK-UFFNRZRYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-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,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
CID 53380978
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
(2E,5S)-5-[(4-methoxyphenyl)methoxy]-4,4-dimethylhepta-2,6-dien-1-ol
CID 10869554
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
(E,4S,5S,7S)-5-methoxy-7-[(4-methoxyphenyl)methoxy]-4-methyl-9-phenylmethoxynon-2-en-1-ol
CID 10982856
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
CID 146253972

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol?
The IUPAC name of (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol (CID 56926948) is (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol.
What is the SMILES notation for (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol?
The canonical SMILES for (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol is COc1ccc(CO[C@@H](C)/C=C/CO)cc1.
What is the InChIKey of (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol?
The InChIKey is QJLTWJSOSLKYEK-UFFNRZRYSA-N. The full InChI is InChI=1S/C13H18O3/c1-11(4-3-9-14)16-10-12-5-7-13(15-2)8-6-12/h3-8,11,14H,9-10H2,1-2H3/b4-3+/t11-/m0/s1.
What are the key properties of (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol?
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol has a molecular weight of 222.28 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol is sourced from PubChem (CID 56926948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).