3,4-bis(phenylmethoxy)pentan-1-ol

C19H24O3 — CID 123654711

IUPAC3,4-bis(phenylmethoxy)pentan-1-ol
SMILESCC(OCc1ccccc1)C(CCO)OCc1ccccc1
InChIInChI=1S/C19H24O3/c1-16(21-14-17-8-4-2-5-9-17)19(12-13-20)22-15-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3
InChIKeyVNGHQXBAECXYNE-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.56
Rot. Bonds9

About 3,4-bis(phenylmethoxy)pentan-1-ol

3,4-bis(phenylmethoxy)pentan-1-ol (PubChem CID 123654711) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3,4-bis(phenylmethoxy)pentan-1-ol.

Molecular Properties

Compound Name3,4-bis(phenylmethoxy)pentan-1-ol
PubChem CID123654711
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name3,4-bis(phenylmethoxy)pentan-1-ol
SMILESCC(OCc1ccccc1)C(CCO)OCc1ccccc1
InChIInChI=1S/C19H24O3/c1-16(21-14-17-8-4-2-5-9-17)19(12-13-20)22-15-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3
InChIKeyVNGHQXBAECXYNE-UHFFFAOYSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol
CID 147439182
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
7-methyl-6-phenylmethoxynonan-1-ol
CID 174832736
2-amino-3-phenylmethoxybutan-1-ol;methane
CID 162219428
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
1-chloroethoxymethylbenzene
CID 12510706

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(phenylmethoxy)pentan-1-ol?
The IUPAC name of 3,4-bis(phenylmethoxy)pentan-1-ol (CID 123654711) is 3,4-bis(phenylmethoxy)pentan-1-ol.
What is the SMILES notation for 3,4-bis(phenylmethoxy)pentan-1-ol?
The canonical SMILES for 3,4-bis(phenylmethoxy)pentan-1-ol is CC(OCc1ccccc1)C(CCO)OCc1ccccc1.
What is the InChIKey of 3,4-bis(phenylmethoxy)pentan-1-ol?
The InChIKey is VNGHQXBAECXYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-16(21-14-17-8-4-2-5-9-17)19(12-13-20)22-15-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3.
What are the key properties of 3,4-bis(phenylmethoxy)pentan-1-ol?
3,4-bis(phenylmethoxy)pentan-1-ol has a molecular weight of 300.40 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phenylmethoxy)pentan-1-ol is sourced from PubChem (CID 123654711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).