(1R)-1-phenyloctan-1-ol

C14H22O — CID 12794259

IUPAC(1R)-1-phenyloctan-1-ol
SMILESCCCCCCC[C@@H](O)c1ccccc1
InChIInChI=1S/C14H22O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11,14-15H,2-5,9,12H2,1H3/t14-/m1/s1
InChIKeyMNBCPXKENXMEEJ-CQSZACIVSA-N
MW206.33 g/mol
LogP4.08
Rot. Bonds7

About (1R)-1-phenyloctan-1-ol

(1R)-1-phenyloctan-1-ol (PubChem CID 12794259) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R)-1-phenyloctan-1-ol.

Molecular Properties

Compound Name(1R)-1-phenyloctan-1-ol
PubChem CID12794259
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1R)-1-phenyloctan-1-ol
SMILESCCCCCCC[C@@H](O)c1ccccc1
InChIInChI=1S/C14H22O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11,14-15H,2-5,9,12H2,1H3/t14-/m1/s1
InChIKeyMNBCPXKENXMEEJ-CQSZACIVSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-phenylpentan-1-ol
CID 6992754
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
4-(1-hydroxytridecyl)phenol
CID 57120972
1,1-diphenyltetradecan-3-ol
CID 102298194
phenylmethanol;1-phenylpentan-1-ol
CID 160862998
hentriacontan-13-ylbenzene
CID 91306613
1-phenyldecane-1,10-diol
CID 15255187
icosan-10-ylbenzene
CID 54351357
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyloctan-1-ol?
The IUPAC name of (1R)-1-phenyloctan-1-ol (CID 12794259) is (1R)-1-phenyloctan-1-ol.
What is the SMILES notation for (1R)-1-phenyloctan-1-ol?
The canonical SMILES for (1R)-1-phenyloctan-1-ol is CCCCCCC[C@@H](O)c1ccccc1.
What is the InChIKey of (1R)-1-phenyloctan-1-ol?
The InChIKey is MNBCPXKENXMEEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11,14-15H,2-5,9,12H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-phenyloctan-1-ol?
(1R)-1-phenyloctan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyloctan-1-ol is sourced from PubChem (CID 12794259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).