4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol

C16H26O3 — CID 83932510

IUPAC4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol
SMILESCCC(CC(O)CO)c1ccccc1OCC(C)C
InChIInChI=1S/C16H26O3/c1-4-13(9-14(18)10-17)15-7-5-6-8-16(15)19-11-12(2)3/h5-8,12-14,17-18H,4,9-11H2,1-3H3
InChIKeyNORIGCIJNMVXFE-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.96
Rot. Bonds8

About 4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol

4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol (PubChem CID 83932510) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol.

Molecular Properties

Compound Name4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol
PubChem CID83932510
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol
SMILESCCC(CC(O)CO)c1ccccc1OCC(C)C
InChIInChI=1S/C16H26O3/c1-4-13(9-14(18)10-17)15-7-5-6-8-16(15)19-11-12(2)3/h5-8,12-14,17-18H,4,9-11H2,1-3H3
InChIKeyNORIGCIJNMVXFE-UHFFFAOYSA-N
XLogP2.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene
CID 83932482
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
2-[2-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83932516
methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
CID 83932519
4-(2,3-difluorophenyl)hexane-1,2-diol
CID 83925548
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
4-(3,4-diethoxyphenyl)hexane-1,2-diol
CID 83923632
1-hept-1-yn-4-yl-2-(2-methylpropoxy)benzene
CID 83932475
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017
1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
CID 63929877
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol?
The IUPAC name of 4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol (CID 83932510) is 4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol.
What is the SMILES notation for 4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol?
The canonical SMILES for 4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol is CCC(CC(O)CO)c1ccccc1OCC(C)C.
What is the InChIKey of 4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol?
The InChIKey is NORIGCIJNMVXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-13(9-14(18)10-17)15-7-5-6-8-16(15)19-11-12(2)3/h5-8,12-14,17-18H,4,9-11H2,1-3H3.
What are the key properties of 4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol?
4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol has a molecular weight of 266.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol is sourced from PubChem (CID 83932510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).