(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol

C15H24O3 — CID 10467398

IUPAC(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol
SMILESCO[C@@H](COCc1ccccc1)[C@H](O)C(C)(C)C
InChIInChI=1S/C15H24O3/c1-15(2,3)14(16)13(17-4)11-18-10-12-8-6-5-7-9-12/h5-9,13-14,16H,10-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyOKEMQIUZWPUIHR-KBPBESRZSA-N
MW252.35 g/mol
LogP2.63
Rot. Bonds6

About (2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol

(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol (PubChem CID 10467398) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol
PubChem CID10467398
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol
SMILESCO[C@@H](COCc1ccccc1)[C@H](O)C(C)(C)C
InChIInChI=1S/C15H24O3/c1-15(2,3)14(16)13(17-4)11-18-10-12-8-6-5-7-9-12/h5-9,13-14,16H,10-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyOKEMQIUZWPUIHR-KBPBESRZSA-N
XLogP2.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-chloro-4,4-dimethyl-1-phenylmethoxypentan-2-ol
CID 134934585
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-phenylmethoxyethane-1,1-diol
CID 59866645
(E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol
CID 164887777
(2S,3S)-4,4-dimethyl-1-phenylmethoxyheptane-2,3,6-triol
CID 10085190
6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol
CID 73319702
2-tert-butyl-4-hydroxy-5-phenylmethoxypentanoic acid
CID 83139665
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
[(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene
CID 102578151

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol?
The IUPAC name of (2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol (CID 10467398) is (2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol.
What is the SMILES notation for (2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol?
The canonical SMILES for (2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol is CO[C@@H](COCc1ccccc1)[C@H](O)C(C)(C)C.
What is the InChIKey of (2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol?
The InChIKey is OKEMQIUZWPUIHR-KBPBESRZSA-N. The full InChI is InChI=1S/C15H24O3/c1-15(2,3)14(16)13(17-4)11-18-10-12-8-6-5-7-9-12/h5-9,13-14,16H,10-11H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol?
(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol has a molecular weight of 252.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol is sourced from PubChem (CID 10467398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).