2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

C18H19ClO — CID 106866083

IUPAC2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCc1ccc(CC2(O)CCc3ccccc3C2)c(Cl)c1
InChIInChI=1S/C18H19ClO/c1-13-6-7-16(17(19)10-13)12-18(20)9-8-14-4-2-3-5-15(14)11-18/h2-7,10,20H,8-9,11-12H2,1H3
InChIKeyBVEUPICWMDGEGB-UHFFFAOYSA-N
MW286.80 g/mol
LogP4.11
Rot. Bonds2

About 2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 106866083) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID106866083
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCc1ccc(CC2(O)CCc3ccccc3C2)c(Cl)c1
InChIInChI=1S/C18H19ClO/c1-13-6-7-16(17(19)10-13)12-18(20)9-8-14-4-2-3-5-15(14)11-18/h2-7,10,20H,8-9,11-12H2,1H3
InChIKeyBVEUPICWMDGEGB-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 114851797
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147155
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
2-[(4-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 60797695
2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65146307
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
1-[(2-chloro-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 106865439
4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol
CID 106866348
2-[(2-methylphenyl)methyl]-1,3-dihydroinden-2-ol
CID 60797949
2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65146415

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 106866083) is 2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is Cc1ccc(CC2(O)CCc3ccccc3C2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is BVEUPICWMDGEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-13-6-7-16(17(19)10-13)12-18(20)9-8-14-4-2-3-5-15(14)11-18/h2-7,10,20H,8-9,11-12H2,1H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 286.80 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 106866083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).