3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C21H22Cl2O — CID 165093425

IUPAC3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc2c(cc1Cl)CCC[C@H]2c1c(O)c(Cl)cc2c1CCCC2
InChIInChI=1S/C21H22Cl2O/c1-12-9-17-14(10-18(12)22)6-4-8-16(17)20-15-7-3-2-5-13(15)11-19(23)21(20)24/h9-11,16,24H,2-8H2,1H3/t16-/m1/s1
InChIKeyGIOIFEWFCNXNDA-MRXNPFEDSA-N
MW361.31 g/mol
LogP6.35
Rot. Bonds1

About 3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 165093425) has the molecular formula C21H22Cl2O and a molecular weight of 361.31 g/mol. Its IUPAC name is 3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID165093425
Molecular FormulaC21H22Cl2O
Molecular Weight361.31 g/mol
Exact Mass360.10
IUPAC Name3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc2c(cc1Cl)CCC[C@H]2c1c(O)c(Cl)cc2c1CCCC2
InChIInChI=1S/C21H22Cl2O/c1-12-9-17-14(10-18(12)22)6-4-8-16(17)20-15-7-3-2-5-13(15)11-19(23)21(20)24/h9-11,16,24H,2-8H2,1H3/t16-/m1/s1
InChIKeyGIOIFEWFCNXNDA-MRXNPFEDSA-N
XLogP6.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.31
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 165093425) is 3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1cc2c(cc1Cl)CCC[C@H]2c1c(O)c(Cl)cc2c1CCCC2.
What is the InChIKey of 3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is GIOIFEWFCNXNDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22Cl2O/c1-12-9-17-14(10-18(12)22)6-4-8-16(17)20-15-7-3-2-5-13(15)11-19(23)21(20)24/h9-11,16,24H,2-8H2,1H3/t16-/m1/s1.
What are the key properties of 3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 361.31 g/mol, XLogP of 6.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(1R)-6-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 165093425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).