(E,4R)-4-phenylmethoxypent-2-en-1-ol

C12H16O2 — CID 121008180

IUPAC(E,4R)-4-phenylmethoxypent-2-en-1-ol
SMILESC[C@H](/C=C/CO)OCc1ccccc1
InChIInChI=1S/C12H16O2/c1-11(6-5-9-13)14-10-12-7-3-2-4-8-12/h2-8,11,13H,9-10H2,1H3/b6-5+/t11-/m1/s1
InChIKeyAJVCHDBBLSJHBP-MVIFTORASA-N
MW192.26 g/mol
LogP2.14
Rot. Bonds5

About (E,4R)-4-phenylmethoxypent-2-en-1-ol

(E,4R)-4-phenylmethoxypent-2-en-1-ol (PubChem CID 121008180) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (E,4R)-4-phenylmethoxypent-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-4-phenylmethoxypent-2-en-1-ol
PubChem CID121008180
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(E,4R)-4-phenylmethoxypent-2-en-1-ol
SMILESC[C@H](/C=C/CO)OCc1ccccc1
InChIInChI=1S/C12H16O2/c1-11(6-5-9-13)14-10-12-7-3-2-4-8-12/h2-8,11,13H,9-10H2,1H3/b6-5+/t11-/m1/s1
InChIKeyAJVCHDBBLSJHBP-MVIFTORASA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
CID 6393557
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
(E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol
CID 139252353
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol
CID 14764351
(E)-4-phenylmethoxypent-2-enal
CID 59042461
(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
CID 11806633
(Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol
CID 14764349
methyl (Z,4R)-4-phenylmethoxypent-2-enoate
CID 10082195
(E,4R,5S)-4-methyl-7-phenylmethoxyhept-2-ene-1,5-diol
CID 11770840
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
CID 71354444

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-phenylmethoxypent-2-en-1-ol?
The IUPAC name of (E,4R)-4-phenylmethoxypent-2-en-1-ol (CID 121008180) is (E,4R)-4-phenylmethoxypent-2-en-1-ol.
What is the SMILES notation for (E,4R)-4-phenylmethoxypent-2-en-1-ol?
The canonical SMILES for (E,4R)-4-phenylmethoxypent-2-en-1-ol is C[C@H](/C=C/CO)OCc1ccccc1.
What is the InChIKey of (E,4R)-4-phenylmethoxypent-2-en-1-ol?
The InChIKey is AJVCHDBBLSJHBP-MVIFTORASA-N. The full InChI is InChI=1S/C12H16O2/c1-11(6-5-9-13)14-10-12-7-3-2-4-8-12/h2-8,11,13H,9-10H2,1H3/b6-5+/t11-/m1/s1.
What are the key properties of (E,4R)-4-phenylmethoxypent-2-en-1-ol?
(E,4R)-4-phenylmethoxypent-2-en-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-phenylmethoxypent-2-en-1-ol is sourced from PubChem (CID 121008180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).