2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol

C16H26O3 — CID 165345524

IUPAC2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
SMILESCOc1ccc(C)cc1C(C)(O)CCCC(C)(C)O
InChIInChI=1S/C16H26O3/c1-12-7-8-14(19-5)13(11-12)16(4,18)10-6-9-15(2,3)17/h7-8,11,17-18H,6,9-10H2,1-5H3
InChIKeySEERSAUKSYYOOQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.15
Rot. Bonds6

About 2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol

2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol (PubChem CID 165345524) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
PubChem CID165345524
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
SMILESCOc1ccc(C)cc1C(C)(O)CCCC(C)(C)O
InChIInChI=1S/C16H26O3/c1-12-7-8-14(19-5)13(11-12)16(4,18)10-6-9-15(2,3)17/h7-8,11,17-18H,6,9-10H2,1-5H3
InChIKeySEERSAUKSYYOOQ-UHFFFAOYSA-N
XLogP3.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
CID 131862050
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
CID 116861530
4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol
CID 116861564
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
CID 143822201
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid
CID 79366441
2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676
4-(2-methoxy-5-methylphenyl)heptan-4-amine
CID 54886794

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol (CID 165345524) is 2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol is COc1ccc(C)cc1C(C)(O)CCCC(C)(C)O.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol?
The InChIKey is SEERSAUKSYYOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-12-7-8-14(19-5)13(11-12)16(4,18)10-6-9-15(2,3)17/h7-8,11,17-18H,6,9-10H2,1-5H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol?
2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol has a molecular weight of 266.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol is sourced from PubChem (CID 165345524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).