(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol

C22H24O2 — CID 57321321

IUPAC(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
SMILESC[C@H](OCc1ccccc1)[C@H](O)CCc1cccc2ccccc12
InChIInChI=1S/C22H24O2/c1-17(24-16-18-8-3-2-4-9-18)22(23)15-14-20-12-7-11-19-10-5-6-13-21(19)20/h2-13,17,22-23H,14-16H2,1H3/t17-,22+/m0/s1
InChIKeyKQSPDXNOIQGLLZ-HTAPYJJXSA-N
MW320.43 g/mol
LogP4.74
Rot. Bonds7

About (3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol

(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol (PubChem CID 57321321) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
PubChem CID57321321
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
SMILESC[C@H](OCc1ccccc1)[C@H](O)CCc1cccc2ccccc12
InChIInChI=1S/C22H24O2/c1-17(24-16-18-8-3-2-4-9-18)22(23)15-14-20-12-7-11-19-10-5-6-13-21(19)20/h2-13,17,22-23H,14-16H2,1H3/t17-,22+/m0/s1
InChIKeyKQSPDXNOIQGLLZ-HTAPYJJXSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide
CID 57324110
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
1-naphthalen-1-ylpentan-3-ol
CID 2793924
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
1-(2-phenylmethoxyethyl)naphthalene
CID 71507589
N-(4-naphthalen-1-ylbutan-2-yl)aniline
CID 162403213
(3R)-1-naphthalen-1-ylhex-4-yn-3-ol
CID 101340053
6-phenylmethoxyheptane-1,2,3,4,5-pentol
CID 174419324
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
(2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol
CID 57030159
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol?
The IUPAC name of (3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol (CID 57321321) is (3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol.
What is the SMILES notation for (3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol?
The canonical SMILES for (3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol is C[C@H](OCc1ccccc1)[C@H](O)CCc1cccc2ccccc12.
What is the InChIKey of (3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol?
The InChIKey is KQSPDXNOIQGLLZ-HTAPYJJXSA-N. The full InChI is InChI=1S/C22H24O2/c1-17(24-16-18-8-3-2-4-9-18)22(23)15-14-20-12-7-11-19-10-5-6-13-21(19)20/h2-13,17,22-23H,14-16H2,1H3/t17-,22+/m0/s1.
What are the key properties of (3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol?
(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol has a molecular weight of 320.43 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol is sourced from PubChem (CID 57321321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).