(E)-1-phenylmethoxyhept-3-en-2-ol

C14H20O2 — CID 134897437

IUPAC(E)-1-phenylmethoxyhept-3-en-2-ol
SMILESCCC/C=C/C(O)COCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-3-5-10-14(15)12-16-11-13-8-6-4-7-9-13/h4-10,14-15H,2-3,11-12H2,1H3/b10-5+
InChIKeyHJDGZOMFHYOVMM-BJMVGYQFSA-N
MW220.31 g/mol
LogP2.92
Rot. Bonds7

About (E)-1-phenylmethoxyhept-3-en-2-ol

(E)-1-phenylmethoxyhept-3-en-2-ol (PubChem CID 134897437) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (E)-1-phenylmethoxyhept-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-phenylmethoxyhept-3-en-2-ol
PubChem CID134897437
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(E)-1-phenylmethoxyhept-3-en-2-ol
SMILESCCC/C=C/C(O)COCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-3-5-10-14(15)12-16-11-13-8-6-4-7-9-13/h4-10,14-15H,2-3,11-12H2,1H3/b10-5+
InChIKeyHJDGZOMFHYOVMM-BJMVGYQFSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.92
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

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(Z,2S,6S)-7-chloro-1-phenylmethoxyhept-3-ene-2,6-diol
CID 10492308
(E,2R)-1-phenylmethoxyhex-3-en-5-yn-2-ol
CID 11805773
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R,3S,4R)-1,3,4-tris(phenylmethoxy)hexadec-5-en-2-ol
CID 57359772
1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol
CID 70426552
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
(2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol
CID 102403075
(E,4S,5R)-5-hydroxy-4-methyl-6-phenylmethoxyhex-2-enoic acid
CID 10901044

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenylmethoxyhept-3-en-2-ol?
The IUPAC name of (E)-1-phenylmethoxyhept-3-en-2-ol (CID 134897437) is (E)-1-phenylmethoxyhept-3-en-2-ol.
What is the SMILES notation for (E)-1-phenylmethoxyhept-3-en-2-ol?
The canonical SMILES for (E)-1-phenylmethoxyhept-3-en-2-ol is CCC/C=C/C(O)COCc1ccccc1.
What is the InChIKey of (E)-1-phenylmethoxyhept-3-en-2-ol?
The InChIKey is HJDGZOMFHYOVMM-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-5-10-14(15)12-16-11-13-8-6-4-7-9-13/h4-10,14-15H,2-3,11-12H2,1H3/b10-5+.
What are the key properties of (E)-1-phenylmethoxyhept-3-en-2-ol?
(E)-1-phenylmethoxyhept-3-en-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenylmethoxyhept-3-en-2-ol is sourced from PubChem (CID 134897437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).