8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol

C17H22O2 — CID 50907574

IUPAC8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol
SMILESCc1ccc2ccc(O)cc2c1CCCC(C)(C)O
InChIInChI=1S/C17H22O2/c1-12-6-7-13-8-9-14(18)11-16(13)15(12)5-4-10-17(2,3)19/h6-9,11,18-19H,4-5,10H2,1-3H3
InChIKeyQQTCKKQMOCTQHG-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.95
Rot. Bonds4

About 8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol

8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol (PubChem CID 50907574) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol.

Molecular Properties

Compound Name8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol
PubChem CID50907574
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol
SMILESCc1ccc2ccc(O)cc2c1CCCC(C)(C)O
InChIInChI=1S/C17H22O2/c1-12-6-7-13-8-9-14(18)11-16(13)15(12)5-4-10-17(2,3)19/h6-9,11,18-19H,4-5,10H2,1-3H3
InChIKeyQQTCKKQMOCTQHG-UHFFFAOYSA-N
XLogP3.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-5-propylnaphthalen-2-ol
CID 144690902
3-tert-butyl-4-methylphenol
CID 13130216
1-(2-aminopropan-2-yl)naphthalene-2,7-diol
CID 117309315
3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
CID 23439773
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol
CID 23054353
3,3-dimethyl-5-(2-methylnaphthalen-1-yl)pentanoic acid
CID 81431231
3,4-dimethylphenol;hydrofluoride
CID 163210270
5,6-dihexylnaphthalen-2-ol
CID 67259351
N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine
CID 81431851
3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol
CID 57177838
4-[(3S)-3-[[(2S)-6-hydroxy-6-methylheptan-2-yl]amino]butyl]phenol
CID 39817717

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol?
The IUPAC name of 8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol (CID 50907574) is 8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol.
What is the SMILES notation for 8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol?
The canonical SMILES for 8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol is Cc1ccc2ccc(O)cc2c1CCCC(C)(C)O.
What is the InChIKey of 8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol?
The InChIKey is QQTCKKQMOCTQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-12-6-7-13-8-9-14(18)11-16(13)15(12)5-4-10-17(2,3)19/h6-9,11,18-19H,4-5,10H2,1-3H3.
What are the key properties of 8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol?
8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol has a molecular weight of 258.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-4-methylpentyl)-7-methylnaphthalen-2-ol is sourced from PubChem (CID 50907574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).