3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol

C15H18O — CID 608115

IUPAC3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol
SMILESCc1cc2c(C(C)C)ccc(C)c2cc1O
InChIInChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5-9,16H,1-4H3
InChIKeyRIWNMJBJRPCUBX-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.29
Rot. Bonds1

About 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol

3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol (PubChem CID 608115) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol.

Molecular Properties

Compound Name3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol
PubChem CID608115
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol
SMILESCc1cc2c(C(C)C)ccc(C)c2cc1O
InChIInChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5-9,16H,1-4H3
InChIKeyRIWNMJBJRPCUBX-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol?
The IUPAC name of 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol (CID 608115) is 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol.
What is the SMILES notation for 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol?
The canonical SMILES for 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol is Cc1cc2c(C(C)C)ccc(C)c2cc1O.
What is the InChIKey of 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol?
The InChIKey is RIWNMJBJRPCUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5-9,16H,1-4H3.
What are the key properties of 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol?
3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol has a molecular weight of 214.31 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol is sourced from PubChem (CID 608115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).