1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol

C19H22O2 — CID 114518706

IUPAC1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(C)(O)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C19H22O2/c1-13-10-14(2)12-16(11-13)19(3,20)15-4-6-17(7-5-15)21-18-8-9-18/h4-7,10-12,18,20H,8-9H2,1-3H3
InChIKeyZUSFTXITJYWJQR-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.10
Rot. Bonds4

About 1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol

1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol (PubChem CID 114518706) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol
PubChem CID114518706
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(C)(O)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C19H22O2/c1-13-10-14(2)12-16(11-13)19(3,20)15-4-6-17(7-5-15)21-18-8-9-18/h4-7,10-12,18,20H,8-9H2,1-3H3
InChIKeyZUSFTXITJYWJQR-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol (CID 114518706) is 1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc(C(C)(O)c2ccc(OC3CC3)cc2)c1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol?
The InChIKey is ZUSFTXITJYWJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-10-14(2)12-16(11-13)19(3,20)15-4-6-17(7-5-15)21-18-8-9-18/h4-7,10-12,18,20H,8-9H2,1-3H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol?
1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol has a molecular weight of 282.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-1-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 114518706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).