1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol

C16H24O3 — CID 103560056

IUPAC1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
SMILESCOc1ccc(C)cc1CC(O)CC1(OC)CCC1
InChIInChI=1S/C16H24O3/c1-12-5-6-15(18-2)13(9-12)10-14(17)11-16(19-3)7-4-8-16/h5-6,9,14,17H,4,7-8,10-11H2,1-3H3
InChIKeyWAZNFGMNLSGCOH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.87
Rot. Bonds6

About 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol

1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol (PubChem CID 103560056) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
PubChem CID103560056
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
SMILESCOc1ccc(C)cc1CC(O)CC1(OC)CCC1
InChIInChI=1S/C16H24O3/c1-12-5-6-15(18-2)13(9-12)10-14(17)11-16(19-3)7-4-8-16/h5-6,9,14,17H,4,7-8,10-11H2,1-3H3
InChIKeyWAZNFGMNLSGCOH-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 103559132
1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560049
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559107
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
2-(2-methoxy-5-methylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63078954
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol (CID 103560056) is 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol is COc1ccc(C)cc1CC(O)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol?
The InChIKey is WAZNFGMNLSGCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12-5-6-15(18-2)13(9-12)10-14(17)11-16(19-3)7-4-8-16/h5-6,9,14,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol?
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 103560056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).