3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol

C19H17ClO — CID 116696421

IUPAC3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol
SMILESOC(CCCl)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H17ClO/c20-14-13-19(21,16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12,21H,13-14H2
InChIKeyRZILIPBWNUASIY-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.70
Rot. Bonds4

About 3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol

3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol (PubChem CID 116696421) has the molecular formula C19H17ClO and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol
PubChem CID116696421
Molecular FormulaC19H17ClO
Molecular Weight296.80 g/mol
Exact Mass296.10
IUPAC Name3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol
SMILESOC(CCCl)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H17ClO/c20-14-13-19(21,16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12,21H,13-14H2
InChIKeyRZILIPBWNUASIY-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
CID 116696329
3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 116696177
4-naphthalen-1-ylheptan-4-ol
CID 114866255
1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol
CID 116696246
3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
CID 116696320
3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol
CID 116696208
1-(trichloromethyl)naphthalene
CID 12791328
2-amino-1-isoquinolin-8-yl-1-phenylethanol
CID 103143061
1-amino-3-chloro-1-phenylpropan-1-ol
CID 175404294
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol
CID 116696426
naphthalen-1-yl-phenyl-pyridin-2-ylmethanol
CID 12549466

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol?
The IUPAC name of 3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol (CID 116696421) is 3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol?
The canonical SMILES for 3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol is OC(CCCl)(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol?
The InChIKey is RZILIPBWNUASIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO/c20-14-13-19(21,16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12,21H,13-14H2.
What are the key properties of 3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol?
3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol has a molecular weight of 296.80 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 116696421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).