2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol

C15H24O — CID 71369401

IUPAC2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol
SMILESCc1ccc([C@H](C)CCCC(C)C)cc1O
InChIInChI=1S/C15H24O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h8-12,16H,5-7H2,1-4H3/t12-/m1/s1
InChIKeyBRDCNCXOKPYJQT-GFCCVEGCSA-N
MW220.36 g/mol
LogP4.63
Rot. Bonds5

About 2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol

2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol (PubChem CID 71369401) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol.

Molecular Properties

Compound Name2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol
PubChem CID71369401
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol
SMILESCc1ccc([C@H](C)CCCC(C)C)cc1O
InChIInChI=1S/C15H24O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h8-12,16H,5-7H2,1-4H3/t12-/m1/s1
InChIKeyBRDCNCXOKPYJQT-GFCCVEGCSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-pentan-2-ylphenol
CID 130033342
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene
CID 71320824
2-methyl-5-(4-methylpentyl)phenol
CID 163753923
4-hexan-2-ylbenzene-1,2-diol
CID 14595150
5-(1-hydroxybutyl)-2-methylphenol
CID 88978694
6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
CID 15858385
2-(6-methylheptan-2-yl)phenol
CID 163037790
5-(1-hydroxypropyl)-2-methylphenol
CID 88978695
4-(4-chlorobutan-2-yl)-2-methylphenol
CID 83922938
1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine
CID 105028693
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 124567296

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol?
The IUPAC name of 2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol (CID 71369401) is 2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol.
What is the SMILES notation for 2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol?
The canonical SMILES for 2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol is Cc1ccc([C@H](C)CCCC(C)C)cc1O.
What is the InChIKey of 2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol?
The InChIKey is BRDCNCXOKPYJQT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h8-12,16H,5-7H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol?
2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol has a molecular weight of 220.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol is sourced from PubChem (CID 71369401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).