1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol

C15H22O3 — CID 65158286

IUPAC1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCOc1ccc(C)cc1C(O)CCC1CCCO1
InChIInChI=1S/C15H22O3/c1-11-5-8-15(17-2)13(10-11)14(16)7-6-12-4-3-9-18-12/h5,8,10,12,14,16H,3-4,6-7,9H2,1-2H3
InChIKeyILEGHZVQDOPJCA-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.00
Rot. Bonds5

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

1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 65158286) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID65158286
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCOc1ccc(C)cc1C(O)CCC1CCCO1
InChIInChI=1S/C15H22O3/c1-11-5-8-15(17-2)13(10-11)14(16)7-6-12-4-3-9-18-12/h5,8,10,12,14,16H,3-4,6-7,9H2,1-2H3
InChIKeyILEGHZVQDOPJCA-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158041
1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 63953787
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993214
1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 105066320
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79730679

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol (CID 65158286) is 1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol is COc1ccc(C)cc1C(O)CCC1CCCO1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is ILEGHZVQDOPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11-5-8-15(17-2)13(10-11)14(16)7-6-12-4-3-9-18-12/h5,8,10,12,14,16H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 65158286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).