4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol

C19H17ClO — CID 139609307

IUPAC4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol
SMILESCCc1cc(Cc2ccc(Cl)cc2)c2ccccc2c1O
InChIInChI=1S/C19H17ClO/c1-2-14-12-15(11-13-7-9-16(20)10-8-13)17-5-3-4-6-18(17)19(14)21/h3-10,12,21H,2,11H2,1H3
InChIKeyBNYOBPMXAZFLJK-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.35
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol

4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol (PubChem CID 139609307) has the molecular formula C19H17ClO and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol
PubChem CID139609307
Molecular FormulaC19H17ClO
Molecular Weight296.80 g/mol
Exact Mass296.10
IUPAC Name4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol
SMILESCCc1cc(Cc2ccc(Cl)cc2)c2ccccc2c1O
InChIInChI=1S/C19H17ClO/c1-2-14-12-15(11-13-7-9-16(20)10-8-13)17-5-3-4-6-18(17)19(14)21/h3-10,12,21H,2,11H2,1H3
InChIKeyBNYOBPMXAZFLJK-UHFFFAOYSA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19868304
2-ethylnaphthalene-1,4-diol
CID 13077288
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1-chloro-4-[(3-ethylphenyl)methyl]benzene
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3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 15617916
1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313
4-benzyl-1-hydroxy-N,N-dioctylnaphthalene-2-carboxamide
CID 18716940
1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene
CID 143979582
2-[2-[(4-chlorophenyl)methyl]phenyl]-1,4-dimethylbenzene
CID 174900515
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 22999667
3-benzyl-5-chloro-2-hydroxybenzaldehyde
CID 4769422

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol (CID 139609307) is 4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol is CCc1cc(Cc2ccc(Cl)cc2)c2ccccc2c1O.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol?
The InChIKey is BNYOBPMXAZFLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO/c1-2-14-12-15(11-13-7-9-16(20)10-8-13)17-5-3-4-6-18(17)19(14)21/h3-10,12,21H,2,11H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol?
4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol has a molecular weight of 296.80 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol is sourced from PubChem (CID 139609307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).