[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol

C14H20O4 — CID 65458991

IUPAC[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
SMILESCOc1cc(CO)cc(OC)c1OCC1CCC1
InChIInChI=1S/C14H20O4/c1-16-12-6-11(8-15)7-13(17-2)14(12)18-9-10-4-3-5-10/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyRHSUJGNODRKAQN-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.38
Rot. Bonds6

About [4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol

[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol (PubChem CID 65458991) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
PubChem CID65458991
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
SMILESCOc1cc(CO)cc(OC)c1OCC1CCC1
InChIInChI=1S/C14H20O4/c1-16-12-6-11(8-15)7-13(17-2)14(12)18-9-10-4-3-5-10/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyRHSUJGNODRKAQN-UHFFFAOYSA-N
XLogP2.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
CID 65459217
[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol
CID 107738957
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
1-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
CID 43622731
3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide
CID 167806025

Frequently Asked Questions

What is the IUPAC name of [4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol?
The IUPAC name of [4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol (CID 65458991) is [4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol.
What is the SMILES notation for [4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol?
The canonical SMILES for [4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol is COc1cc(CO)cc(OC)c1OCC1CCC1.
What is the InChIKey of [4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol?
The InChIKey is RHSUJGNODRKAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-12-6-11(8-15)7-13(17-2)14(12)18-9-10-4-3-5-10/h6-7,10,15H,3-5,8-9H2,1-2H3.
What are the key properties of [4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol?
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol has a molecular weight of 252.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol is sourced from PubChem (CID 65458991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).