2-methyl-1-(3-propylphenyl)butane-1,2-diol

C14H22O2 — CID 103448692

IUPAC2-methyl-1-(3-propylphenyl)butane-1,2-diol
SMILESCCCc1cccc(C(O)C(C)(O)CC)c1
InChIInChI=1S/C14H22O2/c1-4-7-11-8-6-9-12(10-11)13(15)14(3,16)5-2/h6,8-10,13,15-16H,4-5,7H2,1-3H3
InChIKeyBLNDNBIXNUFGOI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-1-(3-propylphenyl)butane-1,2-diol

2-methyl-1-(3-propylphenyl)butane-1,2-diol (PubChem CID 103448692) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-1-(3-propylphenyl)butane-1,2-diol.

Molecular Properties

Compound Name2-methyl-1-(3-propylphenyl)butane-1,2-diol
PubChem CID103448692
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-1-(3-propylphenyl)butane-1,2-diol
SMILESCCCc1cccc(C(O)C(C)(O)CC)c1
InChIInChI=1S/C14H22O2/c1-4-7-11-8-6-9-12(10-11)13(15)14(3,16)5-2/h6,8-10,13,15-16H,4-5,7H2,1-3H3
InChIKeyBLNDNBIXNUFGOI-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448822
3,5,5-trimethyl-1-(3-propylphenyl)hexan-1-ol
CID 115838115
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
1-(3-propylphenyl)ethanamine
CID 116543909
(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol
CID 116542757
3-(3-propylphenyl)pentan-3-ol
CID 116542305
2-methoxy-1-(3-propylphenyl)butan-1-ol
CID 116710935
(3-propylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116542503
2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol
CID 103448542
(1R,2S)-2-methyl-1-(4-methylphenyl)butane-1,2-diol
CID 54566569
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1-(3-chlorobutan-2-yl)-3-propylbenzene
CID 116545543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propylphenyl)butane-1,2-diol?
The IUPAC name of 2-methyl-1-(3-propylphenyl)butane-1,2-diol (CID 103448692) is 2-methyl-1-(3-propylphenyl)butane-1,2-diol.
What is the SMILES notation for 2-methyl-1-(3-propylphenyl)butane-1,2-diol?
The canonical SMILES for 2-methyl-1-(3-propylphenyl)butane-1,2-diol is CCCc1cccc(C(O)C(C)(O)CC)c1.
What is the InChIKey of 2-methyl-1-(3-propylphenyl)butane-1,2-diol?
The InChIKey is BLNDNBIXNUFGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-7-11-8-6-9-12(10-11)13(15)14(3,16)5-2/h6,8-10,13,15-16H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-1-(3-propylphenyl)butane-1,2-diol?
2-methyl-1-(3-propylphenyl)butane-1,2-diol has a molecular weight of 222.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propylphenyl)butane-1,2-diol is sourced from PubChem (CID 103448692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).