5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol

C16H17ClO — CID 169315239

IUPAC5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol
SMILESC=C(Cl)c1c(C)ccc2cc(O)cc(C(C)C)c12
InChIInChI=1S/C16H17ClO/c1-9(2)14-8-13(18)7-12-6-5-10(3)15(11(4)17)16(12)14/h5-9,18H,4H2,1-3H3
InChIKeyOFBYXNMJGUNKTM-UHFFFAOYSA-N
MW260.76 g/mol
LogP5.19
Rot. Bonds2

About 5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol

5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol (PubChem CID 169315239) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol.

Molecular Properties

Compound Name5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol
PubChem CID169315239
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol
SMILESC=C(Cl)c1c(C)ccc2cc(O)cc(C(C)C)c12
InChIInChI=1S/C16H17ClO/c1-9(2)14-8-13(18)7-12-6-5-10(3)15(11(4)17)16(12)14/h5-9,18H,4H2,1-3H3
InChIKeyOFBYXNMJGUNKTM-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.76
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol?
The IUPAC name of 5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol (CID 169315239) is 5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol.
What is the SMILES notation for 5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol?
The canonical SMILES for 5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol is C=C(Cl)c1c(C)ccc2cc(O)cc(C(C)C)c12.
What is the InChIKey of 5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol?
The InChIKey is OFBYXNMJGUNKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-9(2)14-8-13(18)7-12-6-5-10(3)15(11(4)17)16(12)14/h5-9,18H,4H2,1-3H3.
What are the key properties of 5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol?
5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol has a molecular weight of 260.76 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethenyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol is sourced from PubChem (CID 169315239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).