6-phenylmethoxyheptane-1,2,3,4,5-pentol

C14H22O6 — CID 174419324

IUPAC6-phenylmethoxyheptane-1,2,3,4,5-pentol
SMILESCC(OCc1ccccc1)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C14H22O6/c1-9(20-8-10-5-3-2-4-6-10)12(17)14(19)13(18)11(16)7-15/h2-6,9,11-19H,7-8H2,1H3
InChIKeyBSNDNTLYTPUQHS-UHFFFAOYSA-N
MW286.32 g/mol
LogP-0.97
Rot. Bonds8

About 6-phenylmethoxyheptane-1,2,3,4,5-pentol

6-phenylmethoxyheptane-1,2,3,4,5-pentol (PubChem CID 174419324) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 6-phenylmethoxyheptane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-phenylmethoxyheptane-1,2,3,4,5-pentol
PubChem CID174419324
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name6-phenylmethoxyheptane-1,2,3,4,5-pentol
SMILESCC(OCc1ccccc1)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C14H22O6/c1-9(20-8-10-5-3-2-4-6-10)12(17)14(19)13(18)11(16)7-15/h2-6,9,11-19H,7-8H2,1H3
InChIKeyBSNDNTLYTPUQHS-UHFFFAOYSA-N
XLogP-0.97
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 6-phenylmethoxyheptane-1,2,3,4,5-pentol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol
CID 69033542
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-phenylmethoxyhexanal
CID 88598218
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol
CID 142400351
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
2-amino-3-phenylmethoxybutan-1-ol;methane
CID 162219428
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxyheptane-1,2,3,4,5-pentol?
The IUPAC name of 6-phenylmethoxyheptane-1,2,3,4,5-pentol (CID 174419324) is 6-phenylmethoxyheptane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-phenylmethoxyheptane-1,2,3,4,5-pentol?
The canonical SMILES for 6-phenylmethoxyheptane-1,2,3,4,5-pentol is CC(OCc1ccccc1)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-phenylmethoxyheptane-1,2,3,4,5-pentol?
The InChIKey is BSNDNTLYTPUQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-9(20-8-10-5-3-2-4-6-10)12(17)14(19)13(18)11(16)7-15/h2-6,9,11-19H,7-8H2,1H3.
What are the key properties of 6-phenylmethoxyheptane-1,2,3,4,5-pentol?
6-phenylmethoxyheptane-1,2,3,4,5-pentol has a molecular weight of 286.32 g/mol, XLogP of -0.97, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxyheptane-1,2,3,4,5-pentol is sourced from PubChem (CID 174419324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).