(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol

C17H20O2 — CID 93002881

IUPAC(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
SMILESC[C@H](O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-14(18)7-8-15-9-11-17(12-10-15)19-13-16-5-3-2-4-6-16/h2-6,9-12,14,18H,7-8,13H2,1H3/t14-/m0/s1
InChIKeyDORRGZCVGBPIPY-AWEZNQCLSA-N
MW256.34 g/mol
LogP3.58
Rot. Bonds6

About (2S)-4-(4-phenylmethoxyphenyl)butan-2-ol

(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol (PubChem CID 93002881) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2S)-4-(4-phenylmethoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
PubChem CID93002881
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
SMILESC[C@H](O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-14(18)7-8-15-9-11-17(12-10-15)19-13-16-5-3-2-4-6-16/h2-6,9-12,14,18H,7-8,13H2,1H3/t14-/m0/s1
InChIKeyDORRGZCVGBPIPY-AWEZNQCLSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
methyl 3-hydroxy-4-methyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666710
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol
CID 115982097
1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111337141
(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
CID 57123573
4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol
CID 79698405

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-phenylmethoxyphenyl)butan-2-ol?
The IUPAC name of (2S)-4-(4-phenylmethoxyphenyl)butan-2-ol (CID 93002881) is (2S)-4-(4-phenylmethoxyphenyl)butan-2-ol.
What is the SMILES notation for (2S)-4-(4-phenylmethoxyphenyl)butan-2-ol?
The canonical SMILES for (2S)-4-(4-phenylmethoxyphenyl)butan-2-ol is C[C@H](O)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-4-(4-phenylmethoxyphenyl)butan-2-ol?
The InChIKey is DORRGZCVGBPIPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20O2/c1-14(18)7-8-15-9-11-17(12-10-15)19-13-16-5-3-2-4-6-16/h2-6,9-12,14,18H,7-8,13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-4-(4-phenylmethoxyphenyl)butan-2-ol?
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol has a molecular weight of 256.34 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-phenylmethoxyphenyl)butan-2-ol is sourced from PubChem (CID 93002881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).