6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol

C21H22O — CID 22600565

IUPAC6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol
SMILESCc1cccc(Cc2ccc3c(C(C)C)c(O)ccc3c2)c1
InChIInChI=1S/C21H22O/c1-14(2)21-19-9-7-17(13-18(19)8-10-20(21)22)12-16-6-4-5-15(3)11-16/h4-11,13-14,22H,12H2,1-3H3
InChIKeyUTVFXDNBVBSGPU-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.57
Rot. Bonds3

About 6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol

6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol (PubChem CID 22600565) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol.

Molecular Properties

Compound Name6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol
PubChem CID22600565
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol
SMILESCc1cccc(Cc2ccc3c(C(C)C)c(O)ccc3c2)c1
InChIInChI=1S/C21H22O/c1-14(2)21-19-9-7-17(13-18(19)8-10-20(21)22)12-16-6-4-5-15(3)11-16/h4-11,13-14,22H,12H2,1-3H3
InChIKeyUTVFXDNBVBSGPU-UHFFFAOYSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Naphthol
CID 8663
1-Naphthol
CID 7005
Honokiol
CID 72303
9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
4,4'-Butylidenebis(3-methyl-6-tert-butylphenol)
CID 6815
2,3,6-Trimethylphenol
CID 17016
1,5-Dihydroxynaphthalene
CID 6749
trans-Ferruginol
CID 442027
Menadiol
CID 10209
Thymol Iodide
CID 11088
(+)-Totarol
CID 92783

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol?
The IUPAC name of 6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol (CID 22600565) is 6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol.
What is the SMILES notation for 6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol?
The canonical SMILES for 6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol is Cc1cccc(Cc2ccc3c(C(C)C)c(O)ccc3c2)c1.
What is the InChIKey of 6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol?
The InChIKey is UTVFXDNBVBSGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-14(2)21-19-9-7-17(13-18(19)8-10-20(21)22)12-16-6-4-5-15(3)11-16/h4-11,13-14,22H,12H2,1-3H3.
What are the key properties of 6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol?
6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol has a molecular weight of 290.41 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methyl]-1-propan-2-ylnaphthalen-2-ol is sourced from PubChem (CID 22600565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).