1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol

C19H24O2 — CID 116543492

IUPAC1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
SMILESCC(C)Cc1cccc(C(O)CCOc2ccccc2)c1
InChIInChI=1S/C19H24O2/c1-15(2)13-16-7-6-8-17(14-16)19(20)11-12-21-18-9-4-3-5-10-18/h3-10,14-15,19-20H,11-13H2,1-2H3
InChIKeyNNWHLGCSGNUTBF-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.39
Rot. Bonds7

About 1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol

1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol (PubChem CID 116543492) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
PubChem CID116543492
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
SMILESCC(C)Cc1cccc(C(O)CCOc2ccccc2)c1
InChIInChI=1S/C19H24O2/c1-15(2)13-16-7-6-8-17(14-16)19(20)11-12-21-18-9-4-3-5-10-18/h3-10,14-15,19-20H,11-13H2,1-2H3
InChIKeyNNWHLGCSGNUTBF-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

3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
CID 116693402
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
1-[3-(2-methylpropyl)phenyl]nonan-1-ol
CID 115838202
3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
CID 116693290
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
1-(4-fluoro-3-methylphenyl)-3-phenoxypropan-1-ol
CID 62608597
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067
3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
CID 82185180
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol?
The IUPAC name of 1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol (CID 116543492) is 1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol.
What is the SMILES notation for 1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol?
The canonical SMILES for 1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol is CC(C)Cc1cccc(C(O)CCOc2ccccc2)c1.
What is the InChIKey of 1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol?
The InChIKey is NNWHLGCSGNUTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-15(2)13-16-7-6-8-17(14-16)19(20)11-12-21-18-9-4-3-5-10-18/h3-10,14-15,19-20H,11-13H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol?
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-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 1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol is sourced from PubChem (CID 116543492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).