(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol

C15H23ClO2 — CID 15778521

IUPAC(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
SMILESCCCCCCC[C@H](O)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClO2/c1-2-3-4-5-6-7-14(17)15(18)12-8-10-13(16)11-9-12/h8-11,14-15,17-18H,2-7H2,1H3/t14-,15+/m0/s1
InChIKeyPIOYNEBNBHDMOJ-LSDHHAIUSA-N
MW270.80 g/mol
LogP4.09
Rot. Bonds8

About (1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol

(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol (PubChem CID 15778521) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is (1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
PubChem CID15778521
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
SMILESCCCCCCC[C@H](O)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClO2/c1-2-3-4-5-6-7-14(17)15(18)12-8-10-13(16)11-9-12/h8-11,14-15,17-18H,2-7H2,1H3/t14-,15+/m0/s1
InChIKeyPIOYNEBNBHDMOJ-LSDHHAIUSA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)pentane-1,2-diol
CID 103454768
(1R,2S)-1-(4-methylphenyl)nonane-1,2-diol
CID 15778520
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-(4-methoxyphenyl)decane-1,2-diol
CID 77411526
1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
2-(4-chlorophenyl)undecan-1-ol
CID 79437648
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-(4-chlorophenyl)heptane-1-thiol
CID 173233874
(1R,2R)-1-(4-chlorophenyl)-2-(dioctylamino)propan-1-ol
CID 98129728
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol?
The IUPAC name of (1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol (CID 15778521) is (1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol.
What is the SMILES notation for (1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol?
The canonical SMILES for (1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol is CCCCCCC[C@H](O)[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol?
The InChIKey is PIOYNEBNBHDMOJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-2-3-4-5-6-7-14(17)15(18)12-8-10-13(16)11-9-12/h8-11,14-15,17-18H,2-7H2,1H3/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol?
(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol has a molecular weight of 270.80 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol is sourced from PubChem (CID 15778521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).