2-methoxy-2-methyl-6-phenylhexan-3-ol

C14H22O2 — CID 79197404

IUPAC2-methoxy-2-methyl-6-phenylhexan-3-ol
SMILESCOC(C)(C)C(O)CCCc1ccccc1
InChIInChI=1S/C14H22O2/c1-14(2,16-3)13(15)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13,15H,7,10-11H2,1-3H3
InChIKeyLTHSCIZCLMDTIT-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.80
Rot. Bonds6

About 2-methoxy-2-methyl-6-phenylhexan-3-ol

2-methoxy-2-methyl-6-phenylhexan-3-ol (PubChem CID 79197404) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methoxy-2-methyl-6-phenylhexan-3-ol.

Molecular Properties

Compound Name2-methoxy-2-methyl-6-phenylhexan-3-ol
PubChem CID79197404
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methoxy-2-methyl-6-phenylhexan-3-ol
SMILESCOC(C)(C)C(O)CCCc1ccccc1
InChIInChI=1S/C14H22O2/c1-14(2,16-3)13(15)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13,15H,7,10-11H2,1-3H3
InChIKeyLTHSCIZCLMDTIT-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-methyl-6-phenylhexan-3-amine
CID 79197663
2-methyl-2-methylsulfonyl-6-phenylhexan-3-ol
CID 115791112
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
(2R)-5-phenylpentane-1,2-diol
CID 102483629
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
3-methyl-6-phenylhexan-2-ol
CID 54498182
(4-chloro-4-methoxybutyl)benzene
CID 15657447
7-methoxy-N,7-dimethyl-1-phenyloctan-4-amine
CID 103032342
2,2-dimethyl-8-phenyloctan-4-ol
CID 164840740
2-ethoxy-2-methyl-6-phenylhexan-3-amine
CID 116726300
(2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol
CID 101441637

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-6-phenylhexan-3-ol?
The IUPAC name of 2-methoxy-2-methyl-6-phenylhexan-3-ol (CID 79197404) is 2-methoxy-2-methyl-6-phenylhexan-3-ol.
What is the SMILES notation for 2-methoxy-2-methyl-6-phenylhexan-3-ol?
The canonical SMILES for 2-methoxy-2-methyl-6-phenylhexan-3-ol is COC(C)(C)C(O)CCCc1ccccc1.
What is the InChIKey of 2-methoxy-2-methyl-6-phenylhexan-3-ol?
The InChIKey is LTHSCIZCLMDTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2,16-3)13(15)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13,15H,7,10-11H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-6-phenylhexan-3-ol?
2-methoxy-2-methyl-6-phenylhexan-3-ol has a molecular weight of 222.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-6-phenylhexan-3-ol is sourced from PubChem (CID 79197404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).