1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol

C21H26O2 — CID 141427218

IUPAC1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
SMILESCC(C)c1cccc(C(C)(O)C2CC2)c1OCc1ccccc1
InChIInChI=1S/C21H26O2/c1-15(2)18-10-7-11-19(21(3,22)17-12-13-17)20(18)23-14-16-8-5-4-6-9-16/h4-11,15,17,22H,12-14H2,1-3H3
InChIKeyJDQHRVIFMBXBCN-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.01
Rot. Bonds6

About 1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol

1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol (PubChem CID 141427218) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
PubChem CID141427218
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
SMILESCC(C)c1cccc(C(C)(O)C2CC2)c1OCc1ccccc1
InChIInChI=1S/C21H26O2/c1-15(2)18-10-7-11-19(21(3,22)17-12-13-17)20(18)23-14-16-8-5-4-6-9-16/h4-11,15,17,22H,12-14H2,1-3H3
InChIKeyJDQHRVIFMBXBCN-UHFFFAOYSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal
CID 141427213
2-phenylmethoxy-1-propan-2-yl-3-[(E)-prop-1-enyl]benzene
CID 168954401
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
(3-tert-butyl-2-phenylmethoxyphenyl)-(2-methoxy-3-phenylphenyl)methanol
CID 70653939
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
2-phenylmethoxybenzene-1,3-diol
CID 15652625
2,4-bis[3-(3-tert-butyl-2-phenylmethoxyphenyl)phenyl]pentan-3-one
CID 174662245
(2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol
CID 58238515
1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene
CID 158117193
(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
CID 171366218
1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)-2,2,2-trifluoroethanol
CID 72705207

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol (CID 141427218) is 1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol is CC(C)c1cccc(C(C)(O)C2CC2)c1OCc1ccccc1.
What is the InChIKey of 1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol?
The InChIKey is JDQHRVIFMBXBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-15(2)18-10-7-11-19(21(3,22)17-12-13-17)20(18)23-14-16-8-5-4-6-9-16/h4-11,15,17,22H,12-14H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol?
1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol has a molecular weight of 310.44 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 141427218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).