(1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol

C10H13ClO3 — CID 124673100

IUPAC(1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol
SMILESCO[C@H](CO)[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClO3/c1-14-9(6-12)10(13)7-3-2-4-8(11)5-7/h2-5,9-10,12-13H,6H2,1H3/t9-,10-/m1/s1
InChIKeyPATCKMRISHTBML-NXEZZACHSA-N
MW216.66 g/mol
LogP1.38
Rot. Bonds4

About (1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol

(1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol (PubChem CID 124673100) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is (1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol.

Molecular Properties

Compound Name(1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol
PubChem CID124673100
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name(1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol
SMILESCO[C@H](CO)[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClO3/c1-14-9(6-12)10(13)7-3-2-4-8(11)5-7/h2-5,9-10,12-13H,6H2,1H3/t9-,10-/m1/s1
InChIKeyPATCKMRISHTBML-NXEZZACHSA-N
XLogP1.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
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(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1S,2S)-1-(3-chlorophenyl)-2-(1-hydroxypropan-2-ylamino)propan-1-ol
CID 101431798
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715506
(3-chlorophenyl)methanediol
CID 20679602
ethyl 2-[(3-chlorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396786
3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
CID 65186281
(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
CID 165131162
(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
CID 175665348

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol?
The IUPAC name of (1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol (CID 124673100) is (1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol.
What is the SMILES notation for (1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol?
The canonical SMILES for (1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol is CO[C@H](CO)[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol?
The InChIKey is PATCKMRISHTBML-NXEZZACHSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-14-9(6-12)10(13)7-3-2-4-8(11)5-7/h2-5,9-10,12-13H,6H2,1H3/t9-,10-/m1/s1.
What are the key properties of (1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol?
(1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol has a molecular weight of 216.66 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol is sourced from PubChem (CID 124673100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).