4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol

C17H17ClO2 — CID 141027215

IUPAC4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCc1cccc(Cl)c1Oc1ccc(O)c2c1CCCC2
InChIInChI=1S/C17H17ClO2/c1-11-5-4-8-14(18)17(11)20-16-10-9-15(19)12-6-2-3-7-13(12)16/h4-5,8-10,19H,2-3,6-7H2,1H3
InChIKeyKCRJZKXOZRCBBV-UHFFFAOYSA-N
MW288.77 g/mol
LogP5.03
Rot. Bonds2

About 4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol

4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 141027215) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID141027215
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCc1cccc(Cl)c1Oc1ccc(O)c2c1CCCC2
InChIInChI=1S/C17H17ClO2/c1-11-5-4-8-14(18)17(11)20-16-10-9-15(19)12-6-2-3-7-13(12)16/h4-5,8-10,19H,2-3,6-7H2,1H3
InChIKeyKCRJZKXOZRCBBV-UHFFFAOYSA-N
XLogP5.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.77
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-4-[(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-5-methylanilino]-2-oxoacetic acid
CID 18614115
4-methyl-7-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2,3-dihydro-1H-indene
CID 57157159
5-(2-chloro-6-methylphenoxy)-N-cyclopentyl-2-hydroxybenzenesulfonamide
CID 141027231
3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid
CID 25125183
(2-chloro-6-methylphenyl) hydrogen carbonate
CID 155766617
9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene
CID 153323288
1,2-dichlorobenzene;2-methylphenol
CID 159780398
3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline
CID 13246032
2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide
CID 19072983
[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol
CID 43345619
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
2-chloro-6-methylphenol;yttrium
CID 178141464

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 141027215) is 4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol is Cc1cccc(Cl)c1Oc1ccc(O)c2c1CCCC2.
What is the InChIKey of 4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is KCRJZKXOZRCBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-5-4-8-14(18)17(11)20-16-10-9-15(19)12-6-2-3-7-13(12)16/h4-5,8-10,19H,2-3,6-7H2,1H3.
What are the key properties of 4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol?
4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 288.77 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylphenoxy)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 141027215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).