1-methoxy-2-phenylheptan-2-ol

C14H22O2 — CID 103465294

IUPAC1-methoxy-2-phenylheptan-2-ol
SMILESCCCCCC(O)(COC)c1ccccc1
InChIInChI=1S/C14H22O2/c1-3-4-8-11-14(15,12-16-2)13-9-6-5-7-10-13/h5-7,9-10,15H,3-4,8,11-12H2,1-2H3
InChIKeyVASFNJBTSMQYQS-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.10
Rot. Bonds7

About 1-methoxy-2-phenylheptan-2-ol

1-methoxy-2-phenylheptan-2-ol (PubChem CID 103465294) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methoxy-2-phenylheptan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-phenylheptan-2-ol
PubChem CID103465294
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-methoxy-2-phenylheptan-2-ol
SMILESCCCCCC(O)(COC)c1ccccc1
InChIInChI=1S/C14H22O2/c1-3-4-8-11-14(15,12-16-2)13-9-6-5-7-10-13/h5-7,9-10,15H,3-4,8,11-12H2,1-2H3
InChIKeyVASFNJBTSMQYQS-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-phenylpentan-2-ol
CID 79566426
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
1,2-diphenylheptan-2-ol
CID 139785734
10-phenylnonadecane-1,10-diol
CID 159665017
4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol
CID 106590643
1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
CID 103466071
3-hydroxy-3-phenylheptanamide
CID 11253019
(1-hydroxy-1-phenyltridecyl)-trimethylazanium iodide
CID 22748666
1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol
CID 155206594
1,1,1-triphenyl-2-sulfanylheptan-2-ol
CID 129116461
1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465180

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-phenylheptan-2-ol?
The IUPAC name of 1-methoxy-2-phenylheptan-2-ol (CID 103465294) is 1-methoxy-2-phenylheptan-2-ol.
What is the SMILES notation for 1-methoxy-2-phenylheptan-2-ol?
The canonical SMILES for 1-methoxy-2-phenylheptan-2-ol is CCCCCC(O)(COC)c1ccccc1.
What is the InChIKey of 1-methoxy-2-phenylheptan-2-ol?
The InChIKey is VASFNJBTSMQYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-8-11-14(15,12-16-2)13-9-6-5-7-10-13/h5-7,9-10,15H,3-4,8,11-12H2,1-2H3.
What are the key properties of 1-methoxy-2-phenylheptan-2-ol?
1-methoxy-2-phenylheptan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-phenylheptan-2-ol is sourced from PubChem (CID 103465294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).