(2R)-4-(3-ethoxyphenyl)butan-2-ol

C12H18O2 — CID 94920388

IUPAC(2R)-4-(3-ethoxyphenyl)butan-2-ol
SMILESCCOc1cccc(CC[C@@H](C)O)c1
InChIInChI=1S/C12H18O2/c1-3-14-12-6-4-5-11(9-12)8-7-10(2)13/h4-6,9-10,13H,3,7-8H2,1-2H3/t10-/m1/s1
InChIKeyFRDUKZDSTPIZHE-SNVBAGLBSA-N
MW194.27 g/mol
LogP2.40
Rot. Bonds5

About (2R)-4-(3-ethoxyphenyl)butan-2-ol

(2R)-4-(3-ethoxyphenyl)butan-2-ol (PubChem CID 94920388) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R)-4-(3-ethoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(3-ethoxyphenyl)butan-2-ol
PubChem CID94920388
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2R)-4-(3-ethoxyphenyl)butan-2-ol
SMILESCCOc1cccc(CC[C@@H](C)O)c1
InChIInChI=1S/C12H18O2/c1-3-14-12-6-4-5-11(9-12)8-7-10(2)13/h4-6,9-10,13H,3,7-8H2,1-2H3/t10-/m1/s1
InChIKeyFRDUKZDSTPIZHE-SNVBAGLBSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
1-amino-4-(3-ethoxyphenyl)butan-2-ol
CID 112517753
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
CID 112519407
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
1-but-3-ynyl-3-ethoxybenzene
CID 164663959
ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307264
(3-ethoxyphenyl)methanethiol
CID 79885244
4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346128
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
1-(3-ethoxyphenyl)-N-methylpropan-2-amine
CID 547093
3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 111469199

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-ethoxyphenyl)butan-2-ol?
The IUPAC name of (2R)-4-(3-ethoxyphenyl)butan-2-ol (CID 94920388) is (2R)-4-(3-ethoxyphenyl)butan-2-ol.
What is the SMILES notation for (2R)-4-(3-ethoxyphenyl)butan-2-ol?
The canonical SMILES for (2R)-4-(3-ethoxyphenyl)butan-2-ol is CCOc1cccc(CC[C@@H](C)O)c1.
What is the InChIKey of (2R)-4-(3-ethoxyphenyl)butan-2-ol?
The InChIKey is FRDUKZDSTPIZHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-14-12-6-4-5-11(9-12)8-7-10(2)13/h4-6,9-10,13H,3,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-4-(3-ethoxyphenyl)butan-2-ol?
(2R)-4-(3-ethoxyphenyl)butan-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-ethoxyphenyl)butan-2-ol is sourced from PubChem (CID 94920388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).