4,4-bis(4-methoxyphenyl)but-1-en-1-ol

C18H20O3 — CID 174788315

IUPAC4,4-bis(4-methoxyphenyl)but-1-en-1-ol
SMILESCOc1ccc(C(CC=CO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-20-16-9-5-14(6-10-16)18(4-3-13-19)15-7-11-17(21-2)12-8-15/h3,5-13,18-19H,4H2,1-2H3
InChIKeyNQHLEYVRKDGFMQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.30
Rot. Bonds6

About 4,4-bis(4-methoxyphenyl)but-1-en-1-ol

4,4-bis(4-methoxyphenyl)but-1-en-1-ol (PubChem CID 174788315) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,4-bis(4-methoxyphenyl)but-1-en-1-ol.

Molecular Properties

Compound Name4,4-bis(4-methoxyphenyl)but-1-en-1-ol
PubChem CID174788315
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4,4-bis(4-methoxyphenyl)but-1-en-1-ol
SMILESCOc1ccc(C(CC=CO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-20-16-9-5-14(6-10-16)18(4-3-13-19)15-7-11-17(21-2)12-8-15/h3,5-13,18-19H,4H2,1-2H3
InChIKeyNQHLEYVRKDGFMQ-UHFFFAOYSA-N
XLogP4.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
chloro-(4-methoxyphenyl)methanol
CID 130923369
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
[4-[1-(4-methoxyphenyl)but-3-enyl]phenyl] 2,2-dimethylpropanoate
CID 12965724
2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol
CID 132573747
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 142815770
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene
CID 89323289
4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
CID 57159301

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-methoxyphenyl)but-1-en-1-ol?
The IUPAC name of 4,4-bis(4-methoxyphenyl)but-1-en-1-ol (CID 174788315) is 4,4-bis(4-methoxyphenyl)but-1-en-1-ol.
What is the SMILES notation for 4,4-bis(4-methoxyphenyl)but-1-en-1-ol?
The canonical SMILES for 4,4-bis(4-methoxyphenyl)but-1-en-1-ol is COc1ccc(C(CC=CO)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,4-bis(4-methoxyphenyl)but-1-en-1-ol?
The InChIKey is NQHLEYVRKDGFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-20-16-9-5-14(6-10-16)18(4-3-13-19)15-7-11-17(21-2)12-8-15/h3,5-13,18-19H,4H2,1-2H3.
What are the key properties of 4,4-bis(4-methoxyphenyl)but-1-en-1-ol?
4,4-bis(4-methoxyphenyl)but-1-en-1-ol has a molecular weight of 284.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-methoxyphenyl)but-1-en-1-ol is sourced from PubChem (CID 174788315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).