2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol

C15H21ClO2 — CID 117425605

IUPAC2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
SMILESCOc1c(Cl)c2c(c(C)c1C(C)(C)O)CCCC2
InChIInChI=1S/C15H21ClO2/c1-9-10-7-5-6-8-11(10)13(16)14(18-4)12(9)15(2,3)17/h17H,5-8H2,1-4H3
InChIKeyBMZDQYKCAQBAAU-UHFFFAOYSA-N
MW268.78 g/mol
LogP3.76
Rot. Bonds2

About 2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol

2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol (PubChem CID 117425605) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
PubChem CID117425605
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
SMILESCOc1c(Cl)c2c(c(C)c1C(C)(C)O)CCCC2
InChIInChI=1S/C15H21ClO2/c1-9-10-7-5-6-8-11(10)13(16)14(18-4)12(9)15(2,3)17/h17H,5-8H2,1-4H3
InChIKeyBMZDQYKCAQBAAU-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol
CID 117329674
2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 117423184
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117379543
2-(2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117300531
1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117392757
2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanoic acid
CID 117454483
2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117466975
9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene
CID 10634606
2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol
CID 117306060
1-chloro-3-(1,1-difluoroethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 116841612
2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-ol
CID 84685964
4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carbonitrile
CID 117343961

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol?
The IUPAC name of 2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol (CID 117425605) is 2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol is COc1c(Cl)c2c(c(C)c1C(C)(C)O)CCCC2.
What is the InChIKey of 2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol?
The InChIKey is BMZDQYKCAQBAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-9-10-7-5-6-8-11(10)13(16)14(18-4)12(9)15(2,3)17/h17H,5-8H2,1-4H3.
What are the key properties of 2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol?
2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol has a molecular weight of 268.78 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol is sourced from PubChem (CID 117425605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).