1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

C18H18Cl2O — CID 115419671

IUPAC1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(Cc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C18H18Cl2O/c1-12-8-9-18(21,16-5-3-2-4-15(12)16)11-13-10-14(19)6-7-17(13)20/h2-7,10,12,21H,8-9,11H2,1H3
InChIKeyCZNJPNBEUIEMGG-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.32
Rot. Bonds2

About 1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 115419671) has the molecular formula C18H18Cl2O and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID115419671
Molecular FormulaC18H18Cl2O
Molecular Weight321.25 g/mol
Exact Mass320.07
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(Cc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C18H18Cl2O/c1-12-8-9-18(21,16-5-3-2-4-15(12)16)11-13-10-14(19)6-7-17(13)20/h2-7,10,12,21H,8-9,11H2,1H3
InChIKeyCZNJPNBEUIEMGG-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419563
1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 102856985
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 82870214
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419578
1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65316674
4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
CID 65316707
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 65318575
6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane
CID 142273964
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (CID 115419671) is 1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is CC1CCC(O)(Cc2cc(Cl)ccc2Cl)c2ccccc21.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is CZNJPNBEUIEMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O/c1-12-8-9-18(21,16-5-3-2-4-15(12)16)11-13-10-14(19)6-7-17(13)20/h2-7,10,12,21H,8-9,11H2,1H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 321.25 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 115419671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).