3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol

C19H24O2 — CID 82185180

IUPAC3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
SMILESCC(C)COc1cccc(CCC(O)c2ccccc2)c1
InChIInChI=1S/C19H24O2/c1-15(2)14-21-18-10-6-7-16(13-18)11-12-19(20)17-8-4-3-5-9-17/h3-10,13,15,19-20H,11-12,14H2,1-2H3
InChIKeyCRRSVQPKOUUEQP-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.39
Rot. Bonds7

About 3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol

3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol (PubChem CID 82185180) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
PubChem CID82185180
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
SMILESCC(C)COc1cccc(CCC(O)c2ccccc2)c1
InChIInChI=1S/C19H24O2/c1-15(2)14-21-18-10-6-7-16(13-18)11-12-19(20)17-8-4-3-5-9-17/h3-10,13,15,19-20H,11-12,14H2,1-2H3
InChIKeyCRRSVQPKOUUEQP-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-hydroxy-3-phenylpropyl)phenoxy]ethylazanium
CID 149351429
1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol
CID 82185660
3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
CID 116693402
ethane;4-[3-(2-methylpropoxy)phenyl]butan-2-one
CID 176935151
2-phenoxy-1-(3-propylphenyl)ethanol
CID 116543555
3-(3-aminophenyl)-1-phenylpropan-1-ol
CID 12932006
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol (CID 82185180) is 3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol is CC(C)COc1cccc(CCC(O)c2ccccc2)c1.
What is the InChIKey of 3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol?
The InChIKey is CRRSVQPKOUUEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-15(2)14-21-18-10-6-7-16(13-18)11-12-19(20)17-8-4-3-5-9-17/h3-10,13,15,19-20H,11-12,14H2,1-2H3.
What are the key properties of 3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol?
3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol is sourced from PubChem (CID 82185180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).