(2S,3R)-3-(4-methoxyphenyl)butan-2-ol

C11H16O2 — CID 13481815

IUPAC(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc([C@@H](C)[C@H](C)O)cc1
InChIInChI=1S/C11H16O2/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-9,12H,1-3H3/t8-,9-/m0/s1
InChIKeyXAZDONJLDVQBEE-IUCAKERBSA-N
MW180.25 g/mol
LogP2.18
Rot. Bonds3

About (2S,3R)-3-(4-methoxyphenyl)butan-2-ol

(2S,3R)-3-(4-methoxyphenyl)butan-2-ol (PubChem CID 13481815) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S,3R)-3-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
PubChem CID13481815
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc([C@@H](C)[C@H](C)O)cc1
InChIInChI=1S/C11H16O2/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-9,12H,1-3H3/t8-,9-/m0/s1
InChIKeyXAZDONJLDVQBEE-IUCAKERBSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
CID 175713586
CID 175713586
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
chloro-(4-methoxyphenyl)methanol
CID 130923369
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
1-(1-iodoethyl)-4-methoxybenzene;1-(4-methoxyphenyl)ethanol
CID 158169844

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of (2S,3R)-3-(4-methoxyphenyl)butan-2-ol (CID 13481815) is (2S,3R)-3-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for (2S,3R)-3-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for (2S,3R)-3-(4-methoxyphenyl)butan-2-ol is COc1ccc([C@@H](C)[C@H](C)O)cc1.
What is the InChIKey of (2S,3R)-3-(4-methoxyphenyl)butan-2-ol?
The InChIKey is XAZDONJLDVQBEE-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-9,12H,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,3R)-3-(4-methoxyphenyl)butan-2-ol?
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 13481815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).