3-(4-methoxyphenyl)heptane-2,4-diol

C14H22O3 — CID 21414884

IUPAC3-(4-methoxyphenyl)heptane-2,4-diol
SMILESCCCC(O)C(c1ccc(OC)cc1)C(C)O
InChIInChI=1S/C14H22O3/c1-4-5-13(16)14(10(2)15)11-6-8-12(17-3)9-7-11/h6-10,13-16H,4-5H2,1-3H3
InChIKeyITCNFHHJDOXYQP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.32
Rot. Bonds6

About 3-(4-methoxyphenyl)heptane-2,4-diol

3-(4-methoxyphenyl)heptane-2,4-diol (PubChem CID 21414884) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)heptane-2,4-diol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)heptane-2,4-diol
PubChem CID21414884
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-(4-methoxyphenyl)heptane-2,4-diol
SMILESCCCC(O)C(c1ccc(OC)cc1)C(C)O
InChIInChI=1S/C14H22O3/c1-4-5-13(16)14(10(2)15)11-6-8-12(17-3)9-7-11/h6-10,13-16H,4-5H2,1-3H3
InChIKeyITCNFHHJDOXYQP-UHFFFAOYSA-N
XLogP2.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(4-methoxyphenyl)decane-1,2-diol
CID 77411526
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
CID 175713586
CID 175713586

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)heptane-2,4-diol?
The IUPAC name of 3-(4-methoxyphenyl)heptane-2,4-diol (CID 21414884) is 3-(4-methoxyphenyl)heptane-2,4-diol.
What is the SMILES notation for 3-(4-methoxyphenyl)heptane-2,4-diol?
The canonical SMILES for 3-(4-methoxyphenyl)heptane-2,4-diol is CCCC(O)C(c1ccc(OC)cc1)C(C)O.
What is the InChIKey of 3-(4-methoxyphenyl)heptane-2,4-diol?
The InChIKey is ITCNFHHJDOXYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-5-13(16)14(10(2)15)11-6-8-12(17-3)9-7-11/h6-10,13-16H,4-5H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)heptane-2,4-diol?
3-(4-methoxyphenyl)heptane-2,4-diol has a molecular weight of 238.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)heptane-2,4-diol is sourced from PubChem (CID 21414884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).