(1R)-1-(4-chlorophenyl)heptan-1-ol

C13H19ClO — CID 94505087

IUPAC(1R)-1-(4-chlorophenyl)heptan-1-ol
SMILESCCCCCC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6H2,1H3/t13-/m1/s1
InChIKeyLJUMUOIYYHZFOC-CYBMUJFWSA-N
MW226.75 g/mol
LogP4.34
Rot. Bonds6

About (1R)-1-(4-chlorophenyl)heptan-1-ol

(1R)-1-(4-chlorophenyl)heptan-1-ol (PubChem CID 94505087) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)heptan-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)heptan-1-ol
PubChem CID94505087
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name(1R)-1-(4-chlorophenyl)heptan-1-ol
SMILESCCCCCC[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6H2,1H3/t13-/m1/s1
InChIKeyLJUMUOIYYHZFOC-CYBMUJFWSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
CID 15778521
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052
4-(1-hydroxytridecyl)phenol
CID 57120972
1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
2-(4-chlorophenyl)undecan-1-ol
CID 79437648
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(4-chlorophenyl)heptane-1-thiol
CID 173233874
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-(3,5-dichlorophenyl)hexan-1-ol
CID 65149742

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)heptan-1-ol?
The IUPAC name of (1R)-1-(4-chlorophenyl)heptan-1-ol (CID 94505087) is (1R)-1-(4-chlorophenyl)heptan-1-ol.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)heptan-1-ol?
The canonical SMILES for (1R)-1-(4-chlorophenyl)heptan-1-ol is CCCCCC[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)heptan-1-ol?
The InChIKey is LJUMUOIYYHZFOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19ClO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)heptan-1-ol?
(1R)-1-(4-chlorophenyl)heptan-1-ol has a molecular weight of 226.75 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)heptan-1-ol is sourced from PubChem (CID 94505087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).