3-(phenylmethoxymethyl)heptan-4-ol

C15H24O2 — CID 11333834

IUPAC3-(phenylmethoxymethyl)heptan-4-ol
SMILESCCCC(O)C(CC)COCc1ccccc1
InChIInChI=1S/C15H24O2/c1-3-8-15(16)14(4-2)12-17-11-13-9-6-5-7-10-13/h5-7,9-10,14-16H,3-4,8,11-12H2,1-2H3
InChIKeyCBHSDSKQKDGPKM-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.39
Rot. Bonds8

About 3-(phenylmethoxymethyl)heptan-4-ol

3-(phenylmethoxymethyl)heptan-4-ol (PubChem CID 11333834) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)heptan-4-ol.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)heptan-4-ol
PubChem CID11333834
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name3-(phenylmethoxymethyl)heptan-4-ol
SMILESCCCC(O)C(CC)COCc1ccccc1
InChIInChI=1S/C15H24O2/c1-3-8-15(16)14(4-2)12-17-11-13-9-6-5-7-10-13/h5-7,9-10,14-16H,3-4,8,11-12H2,1-2H3
InChIKeyCBHSDSKQKDGPKM-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542
(2R,3S,4S)-1,2-bis(phenylmethoxy)heptane-3,4-diol
CID 13182124
2-phenylmethoxy-1-tributylstannylethanol
CID 10551127
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R,3R,4S,5S,6R,7R,8R,9R,10S,11S,12R,13R)-2,4,6,8,10,12-hexamethyl-1-phenylmethoxypentadecane-3,5,7,9,11,13-hexol
CID 102331265
2-phenylmethoxyethane-1,1-diol
CID 59866645
3-(phenylmethoxymethyl)hexanoic acid
CID 174921830
(2R,3R,4S,5R,6R)-2,4,6-trimethyl-1,3-bis(phenylmethoxy)nonan-5-ol
CID 134836814
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)heptan-4-ol?
The IUPAC name of 3-(phenylmethoxymethyl)heptan-4-ol (CID 11333834) is 3-(phenylmethoxymethyl)heptan-4-ol.
What is the SMILES notation for 3-(phenylmethoxymethyl)heptan-4-ol?
The canonical SMILES for 3-(phenylmethoxymethyl)heptan-4-ol is CCCC(O)C(CC)COCc1ccccc1.
What is the InChIKey of 3-(phenylmethoxymethyl)heptan-4-ol?
The InChIKey is CBHSDSKQKDGPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-8-15(16)14(4-2)12-17-11-13-9-6-5-7-10-13/h5-7,9-10,14-16H,3-4,8,11-12H2,1-2H3.
What are the key properties of 3-(phenylmethoxymethyl)heptan-4-ol?
3-(phenylmethoxymethyl)heptan-4-ol has a molecular weight of 236.36 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)heptan-4-ol is sourced from PubChem (CID 11333834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).