[1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol

C15H22O4 — CID 116929645

IUPAC[1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol
SMILESCOc1cc(CC2(CO)CCC2)cc(OC)c1OC
InChIInChI=1S/C15H22O4/c1-17-12-7-11(8-13(18-2)14(12)19-3)9-15(10-16)5-4-6-15/h7-8,16H,4-6,9-10H2,1-3H3
InChIKeyBFWHMTZUELUSLV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.42
Rot. Bonds6

About [1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol

[1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol (PubChem CID 116929645) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol
PubChem CID116929645
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol
SMILESCOc1cc(CC2(CO)CCC2)cc(OC)c1OC
InChIInChI=1S/C15H22O4/c1-17-12-7-11(8-13(18-2)14(12)19-3)9-15(10-16)5-4-6-15/h7-8,16H,4-6,9-10H2,1-3H3
InChIKeyBFWHMTZUELUSLV-UHFFFAOYSA-N
XLogP2.42
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 94277738
1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929250
[1-[(3,5-dimethylphenyl)methyl]cyclopentyl]methanol
CID 66024135
[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol
CID 115762979
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762
[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478438
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928893
5-[(1-aminocyclopropyl)methyl]-2,3-dimethoxybenzaldehyde
CID 117342405
[1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol
CID 116929655
1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclobutane-1-carboxylic acid
CID 117424265
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol (CID 116929645) is [1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol is COc1cc(CC2(CO)CCC2)cc(OC)c1OC.
What is the InChIKey of [1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol?
The InChIKey is BFWHMTZUELUSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-17-12-7-11(8-13(18-2)14(12)19-3)9-15(10-16)5-4-6-15/h7-8,16H,4-6,9-10H2,1-3H3.
What are the key properties of [1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol?
[1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol has a molecular weight of 266.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116929645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).