(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol

C18H22O2 — CID 66730972

IUPAC(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol
SMILESCCc1ccc(OC)c([C@H](CCO)c2ccccc2)c1
InChIInChI=1S/C18H22O2/c1-3-14-9-10-18(20-2)17(13-14)16(11-12-19)15-7-5-4-6-8-15/h4-10,13,16,19H,3,11-12H2,1-2H3/t16-/m1/s1
InChIKeyKGMCXXZRDJZLKX-MRXNPFEDSA-N
MW270.37 g/mol
LogP3.77
Rot. Bonds6

About (3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol

(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol (PubChem CID 66730972) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol
PubChem CID66730972
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol
SMILESCCc1ccc(OC)c([C@H](CCO)c2ccccc2)c1
InChIInChI=1S/C18H22O2/c1-3-14-9-10-18(20-2)17(13-14)16(11-12-19)15-7-5-4-6-8-15/h4-10,13,16,19H,3,11-12H2,1-2H3/t16-/m1/s1
InChIKeyKGMCXXZRDJZLKX-MRXNPFEDSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4-bromo-1-methoxy-2-(1-phenylbutyl)benzene);4-(5-bromo-2-methoxyphenyl)-4-phenylbutan-2-one;3-(5-bromo-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 157066040
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-(5-ethyl-2-methoxyphenyl)-2-pyrimidin-2-ylethanamine
CID 116833839
[4-benzoyloxy-3-(3-hydroxy-1-phenylpropyl)phenyl] benzoate
CID 139729884
3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol
CID 11290507
(3R)-3-(5-ethyl-2-phenylmethoxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 142644338
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
CID 116940702
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol (CID 66730972) is (3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol is CCc1ccc(OC)c([C@H](CCO)c2ccccc2)c1.
What is the InChIKey of (3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol?
The InChIKey is KGMCXXZRDJZLKX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-14-9-10-18(20-2)17(13-14)16(11-12-19)15-7-5-4-6-8-15/h4-10,13,16,19H,3,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol?
(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 66730972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).