(Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol

C21H26O3 — CID 10087776

IUPAC(Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol
SMILESOC(C/C=C\OCCCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C21H26O3/c22-21(18-24-17-20-11-5-2-6-12-20)14-8-16-23-15-7-13-19-9-3-1-4-10-19/h1-6,8-12,16,21-22H,7,13-15,17-18H2/b16-8-
InChIKeyPXDQBAAVFLIAOI-PXNMLYILSA-N
MW326.44 g/mol
LogP4.12
Rot. Bonds11

About (Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol

(Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol (PubChem CID 10087776) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol.

Molecular Properties

Compound Name(Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol
PubChem CID10087776
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol
SMILESOC(C/C=C\OCCCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C21H26O3/c22-21(18-24-17-20-11-5-2-6-12-20)14-8-16-23-15-7-13-19-9-3-1-4-10-19/h1-6,8-12,16,21-22H,7,13-15,17-18H2/b16-8-
InChIKeyPXDQBAAVFLIAOI-PXNMLYILSA-N
XLogP4.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950
(E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol
CID 46217340
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-(3-phenylpropoxy)-3-sulfanylpropan-2-ol
CID 175040300
CID 172760983
CID 172760983
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
(Z,2S,6S)-7-chloro-1-phenylmethoxyhept-3-ene-2,6-diol
CID 10492308
2-phenylmethoxyethane-1,1-diol
CID 59866645

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol?
The IUPAC name of (Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol (CID 10087776) is (Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol.
What is the SMILES notation for (Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol?
The canonical SMILES for (Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol is OC(C/C=C\OCCCc1ccccc1)COCc1ccccc1.
What is the InChIKey of (Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol?
The InChIKey is PXDQBAAVFLIAOI-PXNMLYILSA-N. The full InChI is InChI=1S/C21H26O3/c22-21(18-24-17-20-11-5-2-6-12-20)14-8-16-23-15-7-13-19-9-3-1-4-10-19/h1-6,8-12,16,21-22H,7,13-15,17-18H2/b16-8-.
What are the key properties of (Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol?
(Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol has a molecular weight of 326.44 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol is sourced from PubChem (CID 10087776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).