1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol

C24H24O3 — CID 70426552

IUPAC1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol
SMILESOC(C=Cc1ccc(OCc2ccccc2)cc1)COCc1ccccc1
InChIInChI=1S/C24H24O3/c25-23(19-26-17-21-7-3-1-4-8-21)14-11-20-12-15-24(16-13-20)27-18-22-9-5-2-6-10-22/h1-16,23,25H,17-19H2
InChIKeySHFMVUDYCMYVRU-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.86
Rot. Bonds9

About 1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol

1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol (PubChem CID 70426552) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol
PubChem CID70426552
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol
SMILESOC(C=Cc1ccc(OCc2ccccc2)cc1)COCc1ccccc1
InChIInChI=1S/C24H24O3/c25-23(19-26-17-21-7-3-1-4-8-21)14-11-20-12-15-24(16-13-20)27-18-22-9-5-2-6-10-22/h1-16,23,25H,17-19H2
InChIKeySHFMVUDYCMYVRU-UHFFFAOYSA-N
XLogP4.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 118344224
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
(E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol
CID 56946569
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
(E,2R)-1-phenylmethoxyhex-3-en-5-yn-2-ol
CID 11805773
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
(E)-1-phenylmethoxyhept-3-en-2-ol
CID 134897437
1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene
CID 144528376
(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-1-en-3-ol
CID 11324417

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol?
The IUPAC name of 1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol (CID 70426552) is 1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol.
What is the SMILES notation for 1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol?
The canonical SMILES for 1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol is OC(C=Cc1ccc(OCc2ccccc2)cc1)COCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol?
The InChIKey is SHFMVUDYCMYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c25-23(19-26-17-21-7-3-1-4-8-21)14-11-20-12-15-24(16-13-20)27-18-22-9-5-2-6-10-22/h1-16,23,25H,17-19H2.
What are the key properties of 1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol?
1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol has a molecular weight of 360.45 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol is sourced from PubChem (CID 70426552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).