7-methoxy-7-methyl-2-phenyloctan-4-ol

C16H26O2 — CID 103035120

IUPAC7-methoxy-7-methyl-2-phenyloctan-4-ol
SMILESCOC(C)(C)CCC(O)CC(C)c1ccccc1
InChIInChI=1S/C16H26O2/c1-13(14-8-6-5-7-9-14)12-15(17)10-11-16(2,3)18-4/h5-9,13,15,17H,10-12H2,1-4H3
InChIKeyNNVFRQBPERAPIG-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.75
Rot. Bonds7

About 7-methoxy-7-methyl-2-phenyloctan-4-ol

7-methoxy-7-methyl-2-phenyloctan-4-ol (PubChem CID 103035120) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 7-methoxy-7-methyl-2-phenyloctan-4-ol.

Molecular Properties

Compound Name7-methoxy-7-methyl-2-phenyloctan-4-ol
PubChem CID103035120
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name7-methoxy-7-methyl-2-phenyloctan-4-ol
SMILESCOC(C)(C)CCC(O)CC(C)c1ccccc1
InChIInChI=1S/C16H26O2/c1-13(14-8-6-5-7-9-14)12-15(17)10-11-16(2,3)18-4/h5-9,13,15,17H,10-12H2,1-4H3
InChIKeyNNVFRQBPERAPIG-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
5-methoxy-2,5-dimethyl-1-phenylhexan-1-ol
CID 103036478
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
3-phenylbutane-1,1-diol
CID 18417931
6-methyl-2-phenylnonan-4-ol
CID 65150012
1-(methylamino)-4-phenylpentan-2-ol
CID 62773320
4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine
CID 43147178
6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
CID 103020013
(2-methyl-5-phenylhexan-2-yl) carbamate
CID 174566123
1-ethylsulfonyl-6-phenylheptan-4-ol
CID 65150364
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
2-methyl-5-phenylhexan-2-ol
CID 12716609

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-methyl-2-phenyloctan-4-ol?
The IUPAC name of 7-methoxy-7-methyl-2-phenyloctan-4-ol (CID 103035120) is 7-methoxy-7-methyl-2-phenyloctan-4-ol.
What is the SMILES notation for 7-methoxy-7-methyl-2-phenyloctan-4-ol?
The canonical SMILES for 7-methoxy-7-methyl-2-phenyloctan-4-ol is COC(C)(C)CCC(O)CC(C)c1ccccc1.
What is the InChIKey of 7-methoxy-7-methyl-2-phenyloctan-4-ol?
The InChIKey is NNVFRQBPERAPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-13(14-8-6-5-7-9-14)12-15(17)10-11-16(2,3)18-4/h5-9,13,15,17H,10-12H2,1-4H3.
What are the key properties of 7-methoxy-7-methyl-2-phenyloctan-4-ol?
7-methoxy-7-methyl-2-phenyloctan-4-ol has a molecular weight of 250.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-methyl-2-phenyloctan-4-ol is sourced from PubChem (CID 103035120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).