1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol

C13H18O2 — CID 63354159

IUPAC1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(CCC(O)C2CC2)c1
InChIInChI=1S/C13H18O2/c1-15-12-4-2-3-10(9-12)5-8-13(14)11-6-7-11/h2-4,9,11,13-14H,5-8H2,1H3
InChIKeyCNZHQEWHRMUHOG-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.40
Rot. Bonds5

About 1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol

1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol (PubChem CID 63354159) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
PubChem CID63354159
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(CCC(O)C2CC2)c1
InChIInChI=1S/C13H18O2/c1-15-12-4-2-3-10(9-12)5-8-13(14)11-6-7-11/h2-4,9,11,13-14H,5-8H2,1H3
InChIKeyCNZHQEWHRMUHOG-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol (CID 63354159) is 1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol is COc1cccc(CCC(O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol?
The InChIKey is CNZHQEWHRMUHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-15-12-4-2-3-10(9-12)5-8-13(14)11-6-7-11/h2-4,9,11,13-14H,5-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol?
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 63354159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).