2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol

C16H26O2 — CID 114209720

IUPAC2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol
SMILESCOc1ccc(C(C)(O)CCCC(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-15(2,3)11-6-12-16(4,17)13-7-9-14(18-5)10-8-13/h7-10,17H,6,11-12H2,1-5H3
InChIKeyQRHYMWXXRDMXAF-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol

2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol (PubChem CID 114209720) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol
PubChem CID114209720
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol
SMILESCOc1ccc(C(C)(O)CCCC(C)(C)C)cc1
InChIInChI=1S/C16H26O2/c1-15(2,3)11-6-12-16(4,17)13-7-9-14(18-5)10-8-13/h7-10,17H,6,11-12H2,1-5H3
InChIKeyQRHYMWXXRDMXAF-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methoxynaphthalen-2-yl)hexan-2-ol
CID 71294239
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol
CID 66002453
4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol
CID 114191696
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
4-[2-hydroxy-4-(4-methoxyphenyl)butan-2-yl]benzonitrile
CID 115481604
N-(7,7-dimethyloctyl)-4-methoxybenzamide
CID 168820142
1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol
CID 170080996
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
CID 116535938
[2-hydroxy-2-(4-methoxyphenyl)propyl] nitrate
CID 10751764

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol (CID 114209720) is 2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol is COc1ccc(C(C)(O)CCCC(C)(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol?
The InChIKey is QRHYMWXXRDMXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-15(2,3)11-6-12-16(4,17)13-7-9-14(18-5)10-8-13/h7-10,17H,6,11-12H2,1-5H3.
What are the key properties of 2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol?
2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol is sourced from PubChem (CID 114209720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).